Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10200998

Structure

InChI Key UACZNFSEKRCDDO-UHFFFAOYSA-N
Smiles CCc1cc(CC)c(O)cc1O
InChI
InChI=1S/C10H14O2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h5-6,11-12H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O2
Molecular Weight 166.1
AlogP 2.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 52959-32-7
NORMAN SUSDAT
PubChem 104369
ChemSpider 94221.0