1-Phenyl-2-propanol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Density
- 0.9988 g/mL (at 14.5 °C)
- Melting point
- 65–67 °C
- Boiling point
- 125 °C
- logP
- 1.61Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
698-87-3SMILES
CC(O)Cc1ccccc1InChIKey
WYTRYIUQUDTGSX-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Benzeneethanol, α-methyl-
- Phenethyl alcohol, α-methyl-
- α-Methylbenzeneethanol
- Benzyl methyl carbinol
- 2-Propanol, 1-phenyl-
- α-Methylphenethyl alcohol
- 2-Hydroxy-1-phenylpropane
- 3-Phenyl-2-propanol
- (±)-α-Methylbenzeneethanol
- (±)-α-Methylphenethyl alcohol
- (±)-1-Phenylpropan-2-ol
- 3-Phenyl-2-hydroxypropane
- NSC 53553
- Benzylethyl alcohol
Work with 1-Phenyl-2-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
Similar compounds
4-Phenyl-2-butanol2344-70-965 % similar
Isobutylbenzene538-93-256 % similar
2-Bromo-1-phenylpropane2114-39-850 % similar
Amphetamine300-62-950 % similar
D-Amphetamine51-64-950 % similar
1-Phenoxy-2-propanol770-35-450 % similar
Formetorex15302-18-845 % similar
Phenylacetaldehyde dimethyl acetal101-48-445 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds