1-(DIMETHOXYPHOSPHORYL)ETHYL 2-(4-CHLORO-2-METHYLPHENOXY)ACETATE

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key VDJCDLZXVZOQQZ-UHFFFAOYSA-N
Smiles COP(=O)(OC)C(C)OC(=O)COc1ccc(Cl)cc1C
InChI
InChI=1S/C13H18ClO6P/c1-9-7-11(14)5-6-12(9)19-8-13(15)20-10(2)21(16,17-3)18-4/h5-7,10H,8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18ClO6P
Molecular Weight 336.71
AlogP 2.15
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 80.87
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Pre-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Abutilon theophrasti 0.0 %
Pre-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Abutilon theophrasti 0.0 %
Post-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Medicago sativa 50.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Amaranthus retroflexus 90.0 %
Post-emergence herbicidal activity against Brassica rapa subsp. oleifera Si Yue Man assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Brassica rapa subsp. oleifera 90.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Digitaria sanguinalis 50.0 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Echinochloa crus-galli 50.0 %
Pre-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Medicago sativa 90.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Amaranthus retroflexus 90.0 %
Pre-emergence herbicidal activity against Brassica rapa subsp. oleifera Si Yue Man assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Brassica rapa subsp. oleifera 90.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Digitaria sanguinalis 90.0 %
Pre-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Echinochloa crus-galli 90.0 %
Post-emergence herbicidal activity against Eclipta prostrata assessed as inhibition at 150 g/hectare treated at two-leaf stage by green house assay Eclipta prostrata 30.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as inhibition at 150 g/hectare treated at two-leaf stage by green house assay Amaranthus retroflexus 10.0 %
Post-emergence herbicidal activity against Brassica juncea assessed as inhibition at 150 g/hectare treated at two-leaf stage by green house assay Brassica juncea 20.0 %
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as inhibition at 150 g/hectare treated at two-leaf stage by green house assay Abutilon theophrasti 82.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as inhibition at 150 g/hectare treated at one-leaf stage by green house assay Digitaria sanguinalis 0.0 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition at 150 g/hectare treated at one-leaf stage by green house assay Echinochloa crus-galli 0.0 %
Post-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as inhibition at 150 g/hectare treated at one-leaf stage by green house assay Setaria viridis 0.0 %
Post-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Post-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Pre-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Pre-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Digitaria sanguinalis 10.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Digitaria sanguinalis 16.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Chenopodium album 80.0 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Chenopodium album 60.0 %
Pre-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Chenopodium album 0.0 %
Pre-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Chenopodium album 0.0 %
Post-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Amaranthus spinosus 100.0 %
Post-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Amaranthus spinosus 10.0 %
Pre-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Amaranthus spinosus 30.0 %
Pre-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Amaranthus spinosus 0.0 %
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Abutilon theophrasti 96.0 %
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Abutilon theophrasti 82.0 %
Herbicidal activity against Cucumis sativus (cucumber) seeds assessed as inhibition of cucumber root at 28 degC for 3 days with 10 hr of lighting and 14 h in the dark Cucumis sativus 436.52 nM

Cross References

Resources Reference
ChEMBL CHEMBL2227919
PubChem 76318676
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