chempirical

2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoic acid

C20H14O4CAS 84627-04-3318.33 g/mol

Open in Covalent MOL file
OHOOHO
Carboxylic acidKetonePhenol

Properties

Molecular formula
C20H14O4
Molar mass
318.33 g/mol
Exact mass
318.0892 Da
Melting point
260–265 °C (decomposes)
logP
3.99Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
84627-04-3
SMILES
O=C(O)c1ccccc1C(=O)c1ccc(O)c(-c2ccccc2)c1
InChIKey
PKHPZNKXOBWFCX-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)

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Names and synonyms

4 names
  • Benzoic acid, 2-[(6-hydroxy[1,1′-biphenyl]-3-yl)carbonyl]-
  • Benzoic acid, o-[(6-hydroxy-3-biphenylyl)carbonyl]-
  • Fendizoic acid
  • 2-(3′-Phenyl-4′-hydroxybenzoyl)benzoic acid

Work with 2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]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 acid85-52-959 % similar 2-(4-Hydroxybenzoyl)benzoic acid85-57-457 % similar Cloperastine fendizoate85187-37-757 % similar 1-Biphenyl-2-carboxylic acid947-84-253 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-552 % similar 2-(4-Methylbenzoyl)benzoic acid85-55-252 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-352 % similar 2-(3-Amino-4-chlorobenzoyl)benzoic acid118-04-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-4 4,6-Dibenzoylresorcinol3088-15-1 Diphenyl isophthalate744-45-6 Phenolphthalein77-09-8 Diphenyl phthalate84-62-8 1,3-Phenylene dibenzoate94-01-9

Elsewhere

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