1,2-Dihydroxybenzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

Catechols

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenols and derivatives

Calculated Property

kind Value Source
logP 0.74 ALOGPS
logS -0.17 ALOGPS
Water Solubility 7.50e+01 g/l ALOGPS
logP 1.37 ChemAxon
IUPAC Name benzene-1,2-diol ChemAxon
Traditional IUPAC Name catechol ChemAxon
Molecular Weight 110.1106 ChemAxon
Monoisotopic Weight 110.036779436 ChemAxon
SMILES OC1=CC=CC=C1O ChemAxon
Molecular Formula C6H6O2 ChemAxon
InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H ChemAxon
InChIKey InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 30.02 ChemAxon
Polarizability 10.69 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.34 ChemAxon
pKa (strongest basic) -6.3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Catechol 1,2-dioxygenase : in Acinetobacter sp. (strain ADP1)
  • Biphenyl-2,3-diol 1,2-dioxygenase : in Burkholderia xenovorans (strain LB400)