Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20885255

Structure

InChI Key AWLNMOJGJLOVGR-UHFFFAOYSA-N
Smiles O=C(OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)C
InChI
InChI=1/C17H18O2/c1-13(18)19-16-11-9-15(10-12-16)17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18O2
Molecular Weight 254.13
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 24133-73-1
NORMAN SUSDAT
PubChem 90369