chempirical

4-(4-Ethylphenyl)benzoic acid

C15H14O2CAS 5731-13-5226.27 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
3.61Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

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
5731-13-5
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChIKey
SCEBDBNGUCNRCE-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)

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Work with 4-(4-Ethylphenyl)benzoic 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

4-Ethylbenzoic acid619-64-789 % similar 4-(4-N-Propylphenyl)benzoic acid88038-94-272 % similar 4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-368 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-467 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-267 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-466 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-764 % similar 4-(4′-Hexylphenyl)benzoic acid59662-48-564 % 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 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-4

Elsewhere

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