chempirical

4-Cyclohexylbenzoic acid

C13H16O2CAS 20029-52-1204.27 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C13H16O2
Molar mass
204.27 g/mol
Exact mass
204.1150 Da
Melting point
109 °C
logP
3.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
20029-52-1
SMILES
O=C(O)c1ccc(C2CCCCC2)cc1
InChIKey
QCIWHVKGVVQHIY-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 4-cyclohexyl-
  • Benzoic acid, p-cyclohexyl-
  • p-Cyclohexylbenzoic acid
  • 4-Cyclohexylphenylcarboxylic acid
  • NSC 126462

Work with 4-Cyclohexylbenzoic 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-(trans-4-Pentylcyclohexyl)benzoic acid65355-30-866 % similar 4-(trans-4-Ethylcyclohexyl)benzoic acid87592-41-464 % similar 4-(trans-4-Butylcyclohexyl)benzoic acid83626-35-163 % similar 4-(trans-4-Propylcyclohexyl)benzoic acid65355-29-562 % similar 1-(4-Cyclohexylphenyl)ethanone18594-05-359 % similar Terephthalic acid100-21-056 % similar 1,4-Dicyclohexylbenzene1087-02-156 % similar 4-Isopropylbenzoic acid536-66-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cinnamyl isobutyrate103-59-3 Cinnamyl butyrate103-61-7 (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-0 1-Phenylcyclohexanecarboxylic acid1135-67-7 4-tert-Butylcinnamic acid1208-65-7 Isobutyl cinnamate122-67-8 Ethenyl 4-(1,1-dimethylethyl)benzoate15484-80-7 2-(3-Methoxyphenyl)cyclohexanone15547-89-4

Elsewhere

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