(1S)-1-(3-Chlorophenyl)ethan-1-ol

C₈H₉ClOCAS 135145-34-5156.61 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

135145-34-5

SMILES

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

InChIKey

QYUQVBHGBPRDKN-LURJTMIESA-N

InChI

InChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/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-(3-Chlorophenyl)ethanol

Work with (1S)-1-(3-Chlorophenyl)ethan-1-ol

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

3-Chloro-α-methylbenzenemethanol6939-95-3100 % similar 1-(4-Chlorophenyl)ethanol3391-10-461 % similar 3-Fluoro-α-methylbenzenemethanol402-63-160 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-058 % similar 3-(1-Hydroxyethyl)aniline2454-37-758 % similar 1-(3-Bromophenyl)ethanol52780-14-058 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % 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 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9 4-Chlorobenzeneethanol1875-88-3

Elsewhere

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