[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methanol

C₁₄H₁₇F₃OCAS 957205-23-1258.28 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₄H₁₇F₃O
Molar mass: 258.28 g/mol
Exact mass: 258.1231 Da
logP: 4.25Crippen estimate
Polar surface area: 20.2 Å²
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

957205-23-1

SMILES

C1CCC(CC1)C2=C(C=C(C=C2)CO)C(F)(F)F

InChIKey

XIRMFYAEMKQCRT-UHFFFAOYSA-N

InChI

InChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2

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Names and synonyms

1 names

Benzenemethanol, 4-cyclohexyl-3-(trifluoromethyl)-

Work with [4-Cyclohexyl-3-(trifluoromethyl)phenyl]methanol

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-Fluoro-3-(trifluoromethyl)benzyl alcohol67515-61-154 % similar 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-953 % similar 4-(Trifluoromethyl)benzenemethanol349-95-142 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-741 % similar 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-438 % similar Siponimod1230487-00-937 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-037 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-337 % similar

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

Elsewhere

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