chempirical

4-tert-Butylbenzyl alcohol

C11H16OCAS 877-65-6164.25 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
Boiling point
140 °C
logP
2.48Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
877-65-6
SMILES
CC(C)(C)c1ccc(CO)cc1
InChIKey
FVEINXLJOJPHLH-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanol, 4-(1,1-dimethylethyl)-
  • Benzyl alcohol, p-tert-butyl-
  • 4-(1,1-Dimethylethyl)benzenemethanol
  • p-tert-Butylbenzyl alcohol
  • 4-tert-Butylphenylmethanol
  • 4-(1,1-Dimethylethyl)benzyl alcohol
  • 4-t-Butylbenzyl alcohol
  • 1-(1,1-Dimethylethyl)-4-(hydroxymethyl)benzene

Work with 4-tert-Butylbenzyl alcohol

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-(1,1-Dimethylethyl)benzeneethanol5406-86-065 % similar 1,4-Benzenedimethanol589-29-757 % similar 4-tert-Butylbenzyl bromide18880-00-756 % similar 4-tert-Butylbenzyl chloride19692-45-656 % similar 4-(Trifluoromethyl)benzenemethanol349-95-156 % similar 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-156 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-850 % similar 4-(1,1-Dimethylethyl)benzeneacetic acid32857-63-950 % 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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