chempirical

p-Biphenylyl benzoate

C19H14O2CAS 2170-13-0274.32 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C19H14O2
Molar mass
274.32 g/mol
Exact mass
274.0994 Da
Melting point
148.5–149.5 °C
logP
4.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2170-13-0
SMILES
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIKey
CINHWMYRCOGYIX-UHFFFAOYSA-N
InChI
InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H

Weigh it out

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

Names and synonyms

11 names
  • [1,1′-Biphenyl]-4-ol, 4-benzoate
  • 4-Biphenylol, benzoate
  • [1,1′-Biphenyl]-4-ol, benzoate
  • Phenol, p-phenyl-, benzoate
  • Benzoic acid, 4-biphenylyl ester
  • 4-(Benzoyloxy)biphenyl
  • NSC 28435
  • 4-Biphenylyl benzoate
  • Biphenyl-4-yl benzoate
  • 1,1′-Biphenyl-4-yl benzoate
  • (4-Phenylphenyl) benzoate

Work with p-Biphenylyl benzoate

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

Phenyl benzoate93-99-277 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-470 % similar p-Chlorophenyl benzoate2005-08-568 % similar p-Hydroxyphenyl benzoate2444-19-168 % similar Diphenyl isophthalate744-45-663 % similar 1,3-Phenylene dibenzoate94-01-963 % similar β-Naphthyl benzoate93-44-761 % similar Phenyl 4-hydroxybenzoate17696-62-758 % similar

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

Same formula

9-Phenylxanthen-9-ol596-38-3 4-Phenoxybenzophenone6317-73-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook