2,4-Dihydroxybenzoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.

Hydroxybenzoic acid derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzoic acids and derivatives

Calculated Property

kind Value Source
logP 1.23 ALOGPS
logS -1.1 ALOGPS
Water Solubility 1.24e+01 g/l ALOGPS
logP 1.67 ChemAxon
IUPAC Name 2,4-dihydroxybenzoic acid ChemAxon
Traditional IUPAC Name 2,4-dihydroxybenzoic acid ChemAxon
Molecular Weight 154.1201 ChemAxon
Monoisotopic Weight 154.02660868 ChemAxon
SMILES OC(=O)C1=CC=C(O)C=C1O ChemAxon
Molecular Formula C7H6O4 ChemAxon
InChI InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) ChemAxon
InChIKey InChIKey=UIAFKZKHHVMJGS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 77.76 ChemAxon
Refractivity 37.28 ChemAxon
Polarizability 13.8 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.1 ChemAxon
pKa (strongest basic) -5.8 ChemAxon
Physiological Charge -1 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

  • p-hydroxybenzoate hydroxylase : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
  • p-hydroxybenzoate hydroxylase : in Pseudomonas fluorescens