1-(5-METHOXYPENTYLOXY)-4-PHENOXYBENZENE

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Molecule Category Free-form
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 MAFDEVUGGJLURF-UHFFFAOYSA-N
Smiles COCCCCCOc1ccc(Oc2ccccc2)cc1
InChI
InChI=1S/C18H22O3/c1-19-14-6-3-7-15-20-16-10-12-18(13-11-16)21-17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22O3
Molecular Weight 286.37
AlogP 4.34
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 27.69
Heavy Atoms 21.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Culex pipiens
- 380.19 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2271772
PubChem 14353122
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