2,6-Dichloro-α-methylbenzenemethanol

C₈H₈Cl₂OCAS 53066-19-6191.05 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₈Cl₂O
Molar mass: 191.05 g/mol
Exact mass: 189.9952 Da
Melting point: 34–35 °C
Boiling point: 134–136 °C (at 13 Torr)
logP: 3.05Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

53066-19-6

SMILES

CC(O)c1c(Cl)cccc1Cl

InChIKey

VUSOJMQVQGKPNN-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3

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

Names and synonyms

5 names

Benzenemethanol, 2,6-dichloro-α-methyl-
Benzyl alcohol, 2,6-dichloro-α-methyl-
2,6-Dichloro-α-methylbenzyl alcohol
1-(2,6-Dichlorophenyl)ethanol
1-(2,6-Dichlorophenyl)ethan-1-ol

Work with 2,6-Dichloro-α-methylbenzenemethanol

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

(1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-263 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-663 % similar 1-(2-Chlorophenyl)ethanol13524-04-463 % similar (αR)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol330156-50-856 % similar (αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol877397-65-456 % similar (1R)-1-(3-Chlorophenyl)ethanol120121-01-950 % similar 3-Chloro-α-methylbenzenemethanol6939-95-350 % similar 2,6-Dichlorobenzylidene chloride81-19-646 % similar

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

Same formula

1-Chloro-4-(2-chloroethoxy)benzene13001-28-0 2,4-Dichloro-3,5-dimethylphenol133-53-9 2,6-Dichlorobenzeneethanol30595-79-0 1,3-Dichloro-2-(methoxymethyl)benzene33486-90-7

Elsewhere

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