(S)-1-(2-Chlorophenyl)ethanol

C₈H₉ClOCAS 131864-71-6156.61 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉ClO
Molar mass: 156.61 g/mol
Exact mass: 156.0342 Da
logP: 2.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

131864-71-6

SMILES

C[C@@H](C1=CC=CC=C1Cl)O

InChIKey

DDUBOVLGCYUYFX-LURJTMIESA-N

InChI

InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1

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

Names and synonyms

1 names

(1S)-1-(2-Chlorophenyl)ethan-1-ol

Work with (S)-1-(2-Chlorophenyl)ethanol

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

2,6-Dichloro-α-methylbenzenemethanol53066-19-663 % similar 1-(2-Bromophenyl)ethan-1-ol114446-55-855 % similar 2-Fluoro-α-methylbenzenemethanol445-26-153 % similar (1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-050 % similar Clorprenaline3811-25-450 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-348 % similar 3-Chloro-α-methylbenzenemethanol6939-95-347 % similar 1-Phenylethanol13323-81-446 % similar

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

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9 4-Chlorobenzeneethanol1875-88-3

Elsewhere

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