Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4070744

Structure

InChI Key QHMTZLHLQBIYJA-UHFFFAOYSA-N
Smiles COC(COc1ccccc1)OC
InChI
InChI=1S/C10H14O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O3
Molecular Weight 182.09
AlogP 1.68
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 27.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 67874-68-4
NORMAN SUSDAT
PubChem 105897
ChemSpider 95429.0