chempirical

2,4-Di-tert-butylphenol

C14H22OCAS 96-76-4206.33 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C14H22O
Molar mass
206.33 g/mol
Exact mass
206.1671 Da
Melting point
56.5 °C
Boiling point
263.5 °C
logP
3.99Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
96-76-4
SMILES
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
InChIKey
ICKWICRCANNIBI-UHFFFAOYSA-N
InChI
InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Phenol, 2,4-bis(1,1-dimethylethyl)-
  • Phenol, 2,4-di-tert-butyl-
  • 2,4-Bis(1,1-dimethylethyl)phenol
  • 2,4-Di-tert-butylhydroxybenzene
  • 2,4-Bis(tert-butyl)phenol
  • NSC 174502
  • Agidol 10

Work with 2,4-Di-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

4-tert-Butylcatechol98-29-369 % similar Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol119345-01-666 % similar tert-Butylhydroquinone1948-33-064 % similar 4-Bromo-2-tert-butylphenol10323-39-462 % similar 2-tert-Butyl-4-methylphenol2409-55-462 % similar 4-tert-Butyl-2-methylphenol98-27-162 % similar 2-Amino-4-tert-butylphenol1199-46-860 % similar 2-Bromo-4-tert-butylphenol2198-66-560 % similar

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

Same formula

8-Phenyl-1-octanol10472-97-6 3,5-Di-tert-butylphenol1138-52-9 Alpha-isomethyl ionone127-51-5 2,6-Di-tert-butylphenol128-39-2 Methylionone1335-46-2 4-tert-Octylphenol140-66-9 4-N-Octylphenol1806-26-4 Cashmeran33704-61-9

Elsewhere

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