4′-Methyl[1,1′-biphenyl]-2-carboxylic acid

C14H12O2CAS 7148-03-0212.25 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Melting point
169–170 °C
logP
3.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7148-03-0
SMILES
Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIKey
ZSTUEICKYWFYIC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

9 names
  • [1,1′-Biphenyl]-2-carboxylic acid, 4′-methyl-
  • 2-Biphenylcarboxylic acid, 4′-methyl-
  • 2-(4-Methylphenyl)benzoic acid
  • 4′-Methyl-2-biphenylcarboxylic acid
  • 2-(p-Tolyl)benzoic acid
  • 4′-Methyl-2-biphenylylcarboxylic acid
  • NSC 26069
  • 4-Methyl-2′-biphenylcarboxylic acid
  • 2-Carboxy-4′-methylbiphenyl

Work with 4′-Methyl[1,1′-biphenyl]-2-carboxylic 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

1-Biphenyl-2-carboxylic acid947-84-271 % similar 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-266 % similar 4'-Chloro-biphenyl-2-carboxylic acid7079-15-466 % similar Diphenic acid482-05-363 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-661 % similar 2-(4-Methylbenzoyl)benzoic acid85-55-259 % similar Methyl 4′-methylbiphenyl-2-carboxylate114772-34-858 % similar 4'-Methyl-4-biphenylcarboxylic acid720-73-056 % 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

PubChem CAS Common Chemistry NIST WebBook