chempirical

3'-Methyl-biphenyl-3-carboxylic acid

C14H12O2CAS 158619-46-6212.25 g/mol

Open in Covalent MOL file
OOH
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
158619-46-6
SMILES
CC1=CC(=CC=C1)C2=CC(=CC=C2)C(=O)O
InChIKey
BJVLFJADOVATRU-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)

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Work with 3'-Methyl-biphenyl-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

m-Toluic acid99-04-780 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-774 % similar 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-363 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-563 % similar 4'-Chloro-biphenyl-3-carboxylic acid4655-10-161 % similar 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-961 % similar Isophthalic acid121-91-560 % similar 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-359 % 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

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