2-Benzylphenol
Properties
- Molecular formula
- C13H12O
- Molar mass
- 184.24 g/mol
- Exact mass
- 184.0888 Da
- Density
- 1.1102 g/mL (at 20 °C)
- Melting point
- 21 °C
- Boiling point
- 312 °C
- logP
- 2.98Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 46 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
28994-41-4SMILES
Oc1ccccc1Cc1ccccc1InChIKey
CDMGNVWZXRKJNS-UHFFFAOYSA-NInChI
InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 2-(phenylmethyl)-
- o-Cresol, α-phenyl-
- 2-(Phenylmethyl)phenol
- o-Benzylphenol
- (2-Hydroxydiphenyl)methane
- α-Phenyl-o-cresol
- Delegol T
- o-Hydroxydiphenylmethane
Work with 2-Benzylphenol
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
Chlorophene120-32-158 % similar
Salicyl alcohol90-01-754 % similar
2-Bromodiphenylmethane23450-18-252 % similar
2-Ethylphenol90-00-652 % similar
2-(Aminomethyl)phenol932-30-952 % similar
Diphenylmethane101-81-550 % similar
2-Benzylaniline28059-64-550 % similar
2-Fluorodiphenylmethane3794-15-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds