Benzenebutanol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 1.001 g/mL (at 20 °C)
- Boiling point
- 140 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
- H412 Harmful to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P501
Identifiers
CAS number
3360-41-6SMILES
OCCCCc1ccccc1InChIKey
LDZLXQFDGRCELX-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 1-Butanol, 4-phenyl-
- 4-Phenylbutanol
- Phenylbutyl alcohol
- 4-Phenyl-1-butanol
- 4-Phenylbutyl alcohol
- 4-Phenyl-1-butyl alcohol
- NSC 71383
- Phenbutanol
- 4-(4-Hydroxybutyl)phenyl acetate
Work with Benzenebutanol
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
8-Phenyl-1-octanol10472-97-695 % similar
5-Phenyl-1-pentanol10521-91-295 % similar
6-Phenyl-1-hexanol2430-16-295 % similar
Benzenepropanol122-97-484 % similar
Phenethyl alcohol60-12-870 % similar
4-Pyridinebutanol5264-15-363 % similar
1,3-Diphenylpropane1081-75-058 % similar
3-(Benzylamino)propanol4720-29-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds