Methyl 4′-methylbiphenyl-2-carboxylate

C15H14O2CAS 114772-34-8226.27 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C15H14O2
Molar mass
226.27 g/mol
Exact mass
226.0994 Da
logP
3.45Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
114772-34-8
SMILES
COC(=O)c1ccccc1-c1ccc(C)cc1
InChIKey
IHNIAWHITVGYJJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • (1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-, methyl ester
  • [1,1′-Biphenyl]-2-carboxylic acid, 4′-methyl-, methyl ester
  • Methyl 2-(4-methylphenyl)benzoate
  • Methyl 2-(p-tolyl)benzoate
  • Methyl 4-methyl-2′-biphenylcarboxylate
  • Methyl 4′-methyl[1,1′-biphenyl]-2-carboxylate

Work with Methyl 4′-methylbiphenyl-2-carboxylate

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

tert-Butyl 4'-methylbiphenyl-2-carboxylate114772-36-067 % similar Methyl 4'-(bromomethyl)biphenyl-2-carboxylate114772-38-265 % similar Dimethyl phthalate131-11-359 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-058 % similar Methyl 2-methylbenzoate89-71-456 % similar Methyl p-toluate99-75-254 % similar Methyl 2-bromobenzoate610-94-651 % similar Methyl salicylate119-36-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 p-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-4 Methyl alpha-phenylbenzeneacetate3469-00-9

Elsewhere

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