4-(trans-4-Ethylcyclohexyl)benzoic acid

C₁₅H₂₀O₂CAS 87592-41-4232.32 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₅H₂₀O₂
Molar mass: 232.32 g/mol
Exact mass: 232.1463 Da
logP: 4.07Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3
Stereocentres: r, rin SMILES atom order

Identifiers

CAS number

87592-41-4

SMILES

CC[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1

InChIKey

DUJHWZDXZFNEKU-HAQNSBGRNA-N

InChI

InChI=1/C15H20O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12H,2-6H2,1H3,(H,16,17)/t11-,12-

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 4-(trans-4-ethylcyclohexyl)-
Benzoic acid, 4-(4-ethylcyclohexyl)-, trans-

Work with 4-(trans-4-Ethylcyclohexyl)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-(trans-4-Propylcyclohexyl)benzoic acid65355-29-576 % similar 4-(trans-4-Butylcyclohexyl)benzoic acid83626-35-172 % similar 4-(trans-4-Pentylcyclohexyl)benzoic acid65355-30-870 % similar 4-Cyclohexylbenzoic acid20029-52-164 % similar 4-Isopropylbenzoic acid536-66-351 % similar 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-349 % similar 4-(trans-4-Ethylcyclohexyl)benzonitrile72928-54-249 % similar 4-Ethylbenzoic acid619-64-747 % similar

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

Same formula

(+)-Isoalantolactone470-17-7 Helenin546-43-0 Costunolide553-21-9 Atractylenolide ii73069-14-4

Elsewhere

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