[1,1'-BIPHENYL]-2,3'-DIOL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9067649

Structure

InChI Key XKZQKPRCPNGNFR-UHFFFAOYSA-N
Smiles Oc1cc(ccc1)c1c(O)cccc1
InChI
InChI=1S/C12H10O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h1-8,13-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10O2
Molecular Weight 186.07
AlogP 2.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 31835-45-7
NORMAN SUSDAT
PubChem 33665
ChemSpider 31049.0
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