(1S)-1-(2-Chlorophenyl)ethane-1,2-diol

C₈H₉ClO₂CAS 133082-13-0172.61 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉ClO₂
Molar mass: 172.61 g/mol
Exact mass: 172.0291 Da
logP: 1.37Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

133082-13-0

SMILES

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

InChIKey

YGOPULMDEZVJGI-MRVPVSSYSA-N

InChI

InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1

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

Work with (1S)-1-(2-Chlorophenyl)ethane-1,2-diol

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

Clorprenaline3811-25-456 % similar (±)-Tulobuterol41570-61-054 % similar N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride6933-90-051 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-250 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-650 % similar 1-(2-Chlorophenyl)ethanol13524-04-450 % similar Tulobuterol hydrochloride56776-01-350 % similar 1-Phenyl-1,2-ethanediol7138-28-550 % similar

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

Same formula

2-(2-Chlorophenoxy)ethanol15480-00-9 2-(4-Chlorophenoxy)ethanol1892-43-9 2-Chloro-1,4-dimethoxybenzene2100-42-7 1-Chloro-3,5-dimethoxybenzene7051-16-3

Elsewhere

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