3,5-dibromobiphenyl-4-ol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.

Polybrominated biphenyls

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 5.08 ALOGPS
logS -5 ALOGPS
Water Solubility 3.03e-03 g/l ALOGPS
logP 4.85 ChemAxon
IUPAC Name 2,6-dibromo-4-phenylphenol ChemAxon
Traditional IUPAC Name 3,5-dibromobiphenyl-4-ol ChemAxon
Molecular Weight 327.999 ChemAxon
Monoisotopic Weight 325.894190172 ChemAxon
SMILES OC1=C(Br)C=C(C=C1Br)C1=CC=CC=C1 ChemAxon
Molecular Formula C12H8Br2O ChemAxon
InChI InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H ChemAxon
InChIKey InChIKey=SKQRVOXIIAXXEM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 68.42 ChemAxon
Polarizability 25.81 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 6.7 ChemAxon
pKa (strongest basic) -7.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon