2-tert-Butylphenol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 0.9783 g/mL (at 20 °C)
- Melting point
- −6.8 °C
- Boiling point
- 223 °C
- logP
- 2.69Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Identifiers
CAS number
88-18-6SMILES
CC(C)(C)c1ccccc1OInChIKey
WJQOZHYUIDYNHM-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Phenol, 2-(1,1-dimethylethyl)-
- Phenol, o-tert-butyl-
- 2-(1,1-Dimethylethyl)phenol
- o-tert-Butylphenol
- 2-tert-Butyl-1-hydroxybenzene
- o-t-Butylphenol
Work with 2-tert-Butylphenol
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
2,6-Di-tert-butylphenol128-39-256 % similar
2,5-Di-tert-butylhydroquinone88-58-454 % similar
2-(Trifluoromethyl)phenol444-30-454 % similar
tert-Butylhydroquinone1948-33-054 % similar
2,4-Di-tert-butylphenol96-76-454 % similar
4-Bromo-2-tert-butylphenol10323-39-452 % similar
2-tert-Butyl-4-methylphenol2409-55-452 % similar
3-Methyl-6-tert-butylphenol88-60-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds