3-Chloro-1-phenyl-1-propanol
Properties
- Molecular formula
- C9H11ClO
- Molar mass
- 170.64 g/mol
- Exact mass
- 170.0498 Da
- Density
- 1.1344 g/mL (at 20 °C)
- Melting point
- 30–32 °C
- Boiling point
- 130–132 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
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
18776-12-0SMILES
OC(CCCl)c1ccccc1InChIKey
JZFUHAGLMZWKTF-UHFFFAOYSA-NInChI
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzenemethanol, α-(2-chloroethyl)-
- Benzyl alcohol, α-(2-chloroethyl)-
- α-(2-Chloroethyl)benzenemethanol
- α-(2-Chloroethyl)benzyl alcohol
- (±)-3-Chloro-1-phenyl-1-propanol
- 3-Chloro-1-phenylpropanol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
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