chempirical

2,2,2-Trichloro-1-phenylethanol

C8H7Cl3OCAS 2000-43-3225.49 g/mol

Open in Covalent MOL file
HOClClCl
AlcoholAlkyl halide

Properties

Molecular formula
C8H7Cl3O
Molar mass
225.49 g/mol
Exact mass
223.9562 Da
Density
1.464 g/mL (at 20 °C)
Melting point
37 °C
Boiling point
155–156 °C (at 150 Torr)
logP
3.09Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2000-43-3
SMILES
OC(c1ccccc1)C(Cl)(Cl)Cl
InChIKey
ABFRBTDJEKZSRM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanol, α-(trichloromethyl)-
  • Benzyl alcohol, α-(trichloromethyl)-
  • α-(Trichloromethyl)benzenemethanol
  • Efiran 99
  • Phenyl(trichloromethyl)carbinol
  • α-(Trichloromethyl)benzyl alcohol
  • 1-Phenyl-2,2,2-trichloroethanol
  • NSC 2796
  • 1,1,1-Trichloro-2-hydroxy-2-phenylethane
  • 2,2,2-Trichloro-1-phenylethan-1-ol

Work with 2,2,2-Trichloro-1-phenylethanol

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

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-756 % similar 2,2,2-Trifluoro-1-phenylethanol340-04-556 % similar 2,2,2-Trifluoro-1-phenylethanol340-05-656 % similar (+)-2,2,2-Trifluoro-1-phenylethanol340-06-756 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-052 % similar Rel-(1R,2S)-1,2-diphenyl-1,2-ethanediol579-43-144 % similar Diphenylmethanol91-01-044 % similar 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-543 % similar

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

Same formula

(S)-2-Chloro-1-(2,4-dichlorophenyl)ethanol126534-31-4

Elsewhere

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