chempirical

4-Bromo-2,6-di-tert-butylphenol

C14H21BrOCAS 1139-52-2285.22 g/mol

Open in Covalent MOL file
BrHO
Aryl halidePhenol

Properties

Molecular formula
C14H21BrO
Molar mass
285.22 g/mol
Exact mass
284.0776 Da
Melting point
81 °C
Boiling point
126–128 °C (at 4 Torr)
logP
4.75Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1139-52-2
SMILES
CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O
InChIKey
SSQQUEKFNSJLKX-UHFFFAOYSA-N
InChI
InChI=1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3

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

Names and synonyms

7 names
  • Phenol, 4-bromo-2,6-bis(1,1-dimethylethyl)-
  • Phenol, 4-bromo-2,6-di-tert-butyl-
  • 4-Bromo-2,6-bis(1,1-dimethylethyl)phenol
  • 2,6-Di-tert-butyl-4-bromophenol
  • NSC 169952
  • NSC 98406
  • 4-Hydroxy-3,5-di(tert-butyl)bromobenzene

Work with 4-Bromo-2,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tri-tert-butylphenol732-26-362 % similar Butylated hydroxytoluene128-37-059 % similar 4-Bromo-2-tert-butylphenol10323-39-459 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-157 % similar 2,6-Bis(1,1-dimethylethyl)-4-mercaptophenol950-59-457 % similar 2,6-Di-tert-butyl-4-methoxyphenol489-01-053 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-653 % similar 2,6-Di-tert-butylphenol128-39-252 % similar

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

Same formula

2-Bromo-4,6-di-tert-butylphenol20834-61-1

Elsewhere

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