(R)-2-Chloro-1-phenylethanol

C8H9ClOCAS 56751-12-3156.61 g/mol

Open in Covalent MOL file
ClOH
AlcoholAlkyl halide

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
logP
1.96Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56751-12-3
SMILES
C1=CC=C(C=C1)[C@H](CCl)O
InChIKey
XWCQSILTDPAWDP-QMMMGPOBSA-N
InChI
InChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloro-1-phenylethanol, (-)-

Work with (R)-2-Chloro-1-phenylethanol

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 (-)-Phenylethanolamine2549-14-662 % similar (1S)-2-Amino-1-phenylethan-1-ol56613-81-162 % similar Phenylethanolamine7568-93-662 % similar (1R)-(-)-1-Phenylethane-1,2-diol16355-00-358 % similar (S)-(+)-1-Phenyl-1,2-ethanediol25779-13-958 % 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 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

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