Methyl 4-biphenylcarboxylate

C₁₄H₁₂O₂CAS 720-75-2212.25 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

Weigh it out

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

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 P-toluate99-75-260 % similar Methyl 4-chlorobenzoate1126-46-158 % similar Methyl anisate121-98-258 % similar Methyl 4-fluorobenzoate403-33-858 % similar Methyl 4-bromobenzoate619-42-158 % 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 p-Phenylphenyl acetate148-86-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook