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

Structure

InChI Key RYWZPRVUQHMJFF-KSZLIROESA-N
Smiles C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O
InChI
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20O2
Molecular Weight 268.15
AlogP 3.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 6639-99-2
NORMAN SUSDAT
PubChem 223998
ChemSpider 194598.0