Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-

C₁₀H₁₃ClOCAS 22422-27-1184.66 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₀H₁₃ClO
Molar mass: 184.66 g/mol
Exact mass: 184.0655 Da
logP: 2.66Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

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

22422-27-1

SMILES

CC1=CC=C(C=C1)C(CCCl)O

InChIKey

QJCQUQOXLUQZDH-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5,10,12H,6-7H2,1H3

Weigh it out

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

Work with Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-

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)-3-Chloro-1-phenyl-propan-1-ol100306-33-063 % similar (-)-3-Chloro-1-phenyl-1-propanol100306-34-163 % similar 3-Chloro-1-phenyl-1-propanol18776-12-063 % similar 4,4'-Dimethylbenzhydrol885-77-847 % similar 1-(4-Methylphenyl)ethanol536-50-544 % similar 4-Methylbenzhydrol1517-63-141 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-941 % similar 1,1-Di-p-tolylethane530-45-039 % similar

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

Same formula

1-tert-Butoxy-4-chlorobenzene18995-35-2 5-Chloro-2-adamantanone20098-17-3 Chlorothymol89-68-9

Elsewhere

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