(-)-3-Chloro-1-phenyl-1-propanol

C₉H₁₁ClOCAS 100306-34-1170.64 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₁₁ClO
Molar mass: 170.64 g/mol
Exact mass: 170.0498 Da
Melting point: 56–57 °C
logP: 2.35Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

100306-34-1

SMILES

O[C@@H](CCCl)c1ccccc1

InChIKey

JZFUHAGLMZWKTF-VIFPVBQESA-N

InChI

InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1

Weigh it out

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

Names and synonyms

8 names

Benzenemethanol, α-(2-chloroethyl)-, (αS)-
Benzenemethanol, α-(2-chloroethyl)-, (S)-
(αS)-α-(2-Chloroethyl)benzenemethanol
(S)-3-Chloro-1-phenyl-1-propanol
(S)-(-)-3-Chloro-1-phenyl-1-propanol
(S)-3-Chloro-1-phenyl-propanol
(S)-1-Phenyl-3-chloro-1-propanol
(1S)-3-Chloro-1-phenylpropan-1-ol

Work with (-)-3-Chloro-1-phenyl-1-propanol

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.

(1R)-3-Chloro-1-phenyl-propan-1-ol100306-33-0Enantiomer 3-Chloro-1-phenyl-1-propanol18776-12-0Stereo not defined

Similar compounds

Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-22422-27-163 % similar (R)-2-Chloro-1-phenylethanol56751-12-363 % similar 1-Phenyl-1-pentanol583-03-955 % similar (1R)-(-)-1-Phenylethane-1,2-diol16355-00-354 % similar (S)-(+)-1-Phenyl-1,2-ethanediol25779-13-954 % similar 1-Phenyl-1,2-ethanediol7138-28-554 % similar 1-Phenyl-1,2-ethanediol93-56-154 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-953 % similar

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

Same formula

Benzyl 2-chloroethyl ether17229-17-3 4-(2-Chloroethyl)phenyl methyl ether18217-00-0 4-Chlorobenzenepropanol6282-88-8

Elsewhere

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