2-(4-Hydroxybenzoyl)benzoic acid

C14H10O4CAS 85-57-4242.23 g/mol

Open in Covalent MOL file
OHOOHO
Carboxylic acidKetonePhenol

Properties

Molecular formula
C14H10O4
Molar mass
242.23 g/mol
Exact mass
242.0579 Da
Melting point
213 °C
logP
2.32Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
85-57-4
SMILES
O=C(O)c1ccccc1C(=O)c1ccc(O)cc1
InChIKey
YGTUPRIZNBMOFV-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzoic acid, 2-(4-hydroxybenzoyl)-
  • Benzoic acid, o-(p-hydroxybenzoyl)-
  • o-(p-Hydroxybenzoyl)benzoic acid
  • Phthalein acid
  • 4′-Hydroxy-2-benzoylbenzoic acid
  • 2-(4′-Hydroxybenzoyl)benzoic acid
  • NSC 122980
  • NSC 57609
  • Hibenzate

Work with 2-(4-Hydroxybenzoyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Benzoylbenzoic acid85-52-974 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-569 % similar 2-(4-Methylbenzoyl)benzoic acid85-55-269 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-369 % similar 2,4′-Dihydroxybenzophenone606-12-265 % similar 2-(4-Methoxybenzoyl)benzoic acid1151-15-163 % similar 4-Hydroxybenzophenone1137-42-459 % similar Phthalic acid88-99-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthracene-1,4,9,10-tetraol476-60-8 Diphenic acid482-05-3 [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-2 Benzoyl peroxide94-36-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook