chempirical

4'-Methylbiphenyl-3-carboxylic acid

C14H12O2CAS 147404-69-1212.25 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
logP
3.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
147404-69-1
SMILES
CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
InChIKey
APYJGQZXCGXMGB-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)

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Names and synonyms

1 names
  • 4'-Methyl-biphenyl-3-carboxylic acid

Work with 4'-Methylbiphenyl-3-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

[1,1′-Biphenyl]-3-carboxylic acid716-76-772 % similar 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-367 % similar M-Toluic acid99-04-767 % similar 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-361 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-561 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid676348-31-560 % similar Isophthalic acid121-91-558 % similar 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-355 % 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

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