α-Methyl-4-(trifluoromethyl)benzenemethanol

C₉H₉F₃OCAS 1737-26-4190.17 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₉F₃O
Molar mass: 190.17 g/mol
Exact mass: 190.0605 Da
Boiling point: 116–118 °C (at 20 Torr)
logP: 2.76Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1737-26-4

SMILES

CC(O)c1ccc(C(F)(F)F)cc1

InChIKey

YMXIDIAEXNLCFT-UHFFFAOYSA-N

InChI

InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3

Weigh it out

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

Names and synonyms

10 names

Benzenemethanol, α-methyl-4-(trifluoromethyl)-
Benzyl alcohol, α-methyl-p-(trifluoromethyl)-
1-(4-Trifluoromethylphenyl)ethanol
α-Methyl-p-(trifluoromethyl)benzyl alcohol
1-(1-Hydroxyethyl)-4-trifluoromethylbenzene
4-Trifluoromethyl-α-methylbenzenemethanol
1-(p-Trifluoromethylphenyl)ethanol
α-Methyl-4-trifluoromethylbenzenemethanol
(±)-1-(p-Trifluoromethylphenyl)ethanol
1-[4-(Trifluoromethyl)phenyl]ethan-1-ol

Work with α-Methyl-4-(trifluoromethyl)benzenemethanol

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

(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol127852-28-266 % similar (αS)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol225920-05-866 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-255 % similar 1-(4-Fluorophenyl)ethanol403-41-855 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-852 % similar 1-(4-Methylphenyl)ethanol536-50-552 % similar 1-Phenylethanol13323-81-450 % similar (S)-1-Phenylethanol1445-91-650 % similar

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

Same formula

1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-3 2-(Trifluoromethyl)benzeneethanol94022-96-5

Elsewhere

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