4-tert-Pentylphenol
Properties
- Molecular formula
- C11H16O
- Molar mass
- 164.25 g/mol
- Exact mass
- 164.1201 Da
- Density
- 0.962 g/mL (at 20 °C)
- Melting point
- 94–95 °C
- Boiling point
- 262.5 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
80-46-6SMILES
CCC(C)(C)c1ccc(O)cc1InChIKey
NRZWYNLTFLDQQX-UHFFFAOYSA-NInChI
InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Phenol, 4-(1,1-dimethylpropyl)-
- Phenol, p-tert-pentyl-
- Phenol, p-(1,1-dimethylpropyl)-
- 4-(1,1-Dimethylpropyl)phenol
- Amilfenol
- p-tert-Amylphenol
- 4-tert-Amylphenol
- p-(α,α-Dimethylpropyl)phenol
- p-tert-Pentylphenol
- 4-t-Amylphenol
- p-(1,1-Dimethylpropyl)phenol
- 4-t-Pentylphenol
- NSC 403672
- NSC 4965
- BirexSE
- 4-(2-Methylbutan-2-yl)phenol
Work with 4-tert-Pentylphenol
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
Bisphenol B77-40-764 % similar
4-tert-Octylphenol140-66-962 % similar
tert-Amylbenzene2049-95-859 % similar
2,4-Di-tert-amylphenol120-95-655 % similar
Tris(4-hydroxyphenyl)ethane27955-94-852 % similar
Bisphenol A80-05-752 % similar
4-tert-Butylphenol98-54-452 % similar
4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]110726-28-845 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds