chempirical

3',4'-Dimethyl-biphenyl-4-carboxylic acid

C15H14O2CAS 122294-09-1226.27 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C15H14O2
Molar mass
226.27 g/mol
Exact mass
226.0994 Da
logP
3.67Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
122294-09-1
SMILES
CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C
InChIKey
GFGYCDJAIZGZTK-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-10-3-4-14(9-11(10)2)12-5-7-13(8-6-12)15(16)17/h3-9H,1-2H3,(H,16,17)

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Work with 3',4'-Dimethyl-biphenyl-4-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

3,4-Dimethylbenzoic acid619-04-573 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-264 % similar 3-Hydroxy-4-methylbenzoic acid586-30-157 % similar 3-Iodo-4-methylbenzoic acid82998-57-057 % similar 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene1078153-58-856 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-256 % similar 3-Amino-4-methylbenzoic acid2458-12-056 % similar 3-Fluoro-4-methylbenzoic acid350-28-756 % 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 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-4 Methyl α-phenylbenzeneacetate3469-00-9 2′-Hydroxydihydrochalcone3516-95-8

Elsewhere

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