4′-tert-Butylacetophenone

C₁₂H₁₆OCAS 943-27-1176.26 g/mol

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Properties

Molecular formula: C₁₂H₁₆O
Molar mass: 176.26 g/mol
Exact mass: 176.1201 Da
Melting point: 17.7 °C
Boiling point: 97–98 °C (at 0.8 Torr)
logP: 3.19Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

943-27-1

SMILES

CC(=O)c1ccc(C(C)(C)C)cc1

InChIKey

UYFJYGWNYQCHOB-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3

Weigh it out

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Names and synonyms

10 names

Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-
Acetophenone, 4′-tert-butyl-
1-[4-(1,1-Dimethylethyl)phenyl]ethanone
p-tert-Butylacetophenone
p-tert-Butylacetylbenzene
NSC 826
4-tert-Butylphenyl methyl ketone
1-(4-tert-Butylphenyl)ethanone
4-t-Butylacetophenone
1-[4-(tert-Butyl)phenyl]ethan-1-one

Work with 4′-tert-Butylacetophenone

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

1,4-Diacetylbenzene1009-61-665 % similar 4-(Trifluoromethyl)acetophenone709-63-762 % similar 4-tert-Butylbenzoyl chloride1710-98-157 % similar Para-tert-butylbenzoic acid98-73-757 % similar Iht-pi 18568400-54-456 % similar 4-tert-Butylbenzophenone22679-54-555 % similar P-Methylacetophenone122-00-954 % similar Methyl 4-tert-butylbenzoate26537-19-953 % similar

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

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7

Elsewhere

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