Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C6Y51501JB
EPA CompTox DTXSID9059549

Structure

InChI Key VWGNFIQXBYRDCH-UHFFFAOYSA-N
Smiles CCOc1ccc(OCC)cc1
InChI
InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O2
Molecular Weight 166.1
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 122-95-2
NORMAN SUSDAT
FDA SRS C6Y51501JB
PubChem 67150
ChemSpider 21111774.0