chempirical

4-tert-Butyl-2-methylphenol

C11H16OCAS 98-27-1164.25 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
Density
0.9404 g/mL (at 20 °C)
Melting point
27.5 °C
Boiling point
237 °C
logP
3.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
98-27-1
SMILES
Cc1cc(C(C)(C)C)ccc1O
InChIKey
SNKLPZOJLXDZCW-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • Phenol, 4-(1,1-dimethylethyl)-2-methyl-
  • o-Cresol, 4-tert-butyl-
  • 4-(1,1-Dimethylethyl)-2-methylphenol
  • 4-tert-Butyl-o-cresol
  • p-tert-Butyl-o-cresol
  • 2-Methyl-4-tert-butylphenol
  • p-tert-Butyl-2-methylphenol
  • NSC 8477
  • NSC 98355

Work with 4-tert-Butyl-2-methylphenol

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 C79-97-071 % similar 4-tert-Butylcatechol98-29-367 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-063 % similar 2,4-Di-tert-butylphenol96-76-462 % similar 2-Amino-4-tert-butylphenol1199-46-858 % similar 2-Bromo-4-tert-butylphenol2198-66-558 % similar 2,4-Dimethylphenol105-67-952 % similar Methylhydroquinone95-71-652 % similar

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

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 Jasmone488-10-8 4-tert-Butylanisole5396-38-3 1-Phenyl-1-pentanol583-03-9

Elsewhere

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