chempirical

4-tert-Butylphenol

C10H14OCAS 98-54-4150.22 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.9 g/mL
Melting point
98 °C
Boiling point
237 °C
logP
2.69Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
98-54-4
SMILES
CC(C)(C)c1ccc(O)cc1
InChIKey
QHPQWRBYOIRBIT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

Weigh it out

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Names and synonyms

8 names
  • Phenol, 4-(1,1-dimethylethyl)-
  • Phenol, p-tert-butyl-
  • 4-(1,1-Dimethylethyl)phenol
  • Butylphen
  • p-tert-Butylphenol
  • PTBP
  • NSC 3697
  • B 110666

Work with 4-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

Phenol, 4-(1,1-dimethylethyl)-, polymer with sulfur chloride (S2cl2)60303-68-675 % similar 1,4-Di-tert-butylbenzene1012-72-267 % similar Tris(4-hydroxyphenyl)ethane27955-94-864 % similar Bisphenol A80-05-764 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-857 % similar 3,5-Di-tert-butylphenol1138-52-957 % similar 1-Bromo-4-tert-butylbenzene3972-65-457 % similar 4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]110726-28-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8

Elsewhere

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