Methyl 4-biphenylcarboxylate

C14H12O2CAS 720-75-2212.25 g/mol

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OO
Ester

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Melting point
118 °C
Boiling point
110–130 °C (at 3 Torr)
logP
3.14Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
720-75-2
SMILES
COC(=O)c1ccc(-c2ccccc2)cc1
InChIKey
GATUGNVDXMYTJX-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

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Names and synonyms

10 names
  • [1,1′-Biphenyl]-4-carboxylic acid, methyl ester
  • 4-Biphenylcarboxylic acid, methyl ester
  • Methyl p-phenylbenzoate
  • Methyl 4-phenylbenzoate
  • 4-Carbomethoxybiphenyl
  • 4-Methoxycarbonylbiphenyl
  • NSC 16285
  • NSC 234749
  • Methyl 1,1′-biphenyl-4-carboxylate
  • 4-(Methoxycarbonyl)-1,1′-biphenyl

Work with Methyl 4-biphenylcarboxylate

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

4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-584 % similar Methyl benzoate93-58-377 % similar Dimethyl terephthalate120-61-672 % similar Methyl 4-benzyloxybenzoate32122-11-560 % similar Methyl p-toluate99-75-260 % similar Methyl 4-chlorobenzoate1126-46-158 % similar Methyl anisate121-98-258 % similar Methyl 4-acetylbenzoate3609-53-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenylacetic acid117-34-0 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1

Elsewhere

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