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

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
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 [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-464 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-264 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-263 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-163 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-263 % similar 4'-Methyl-4-biphenylcarboxylic acid720-73-063 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-258 % 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-[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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