chempirical

(1R)-1-(4-Chlorophenyl)ethan-1-ol

C8H9ClOCAS 75968-40-0156.61 g/mol

Open in Covalent MOL file
ClHO
AlcoholAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

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
75968-40-0
SMILES
C[C@H](C1=CC=C(C=C1)Cl)O
InChIKey
MVOSNPUNXINWAD-ZCFIWIBFSA-N
InChI
InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m1/s1

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Names and synonyms

1 names
  • (R)-4-Chloro-alpha-methylbenzyl alcohol

Work with (1R)-1-(4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(4-Chlorophenyl)ethanol3391-10-4Stereo not defined

Similar compounds

3-Chloro-α-methylbenzenemethanol6939-95-361 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-858 % similar 1-(4-Methylphenyl)ethanol536-50-558 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar 4,4′-Dichlorobenzhydrol90-97-156 % similar 1-Phenylethanol98-85-156 % 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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