4-tert-Butylbenzophenone

C₁₇H₁₈OCAS 22679-54-5238.33 g/mol

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Properties

Molecular formula: C₁₇H₁₈O
Molar mass: 238.33 g/mol
Exact mass: 238.1358 Da
Boiling point: 132–134 °C (at 0.1 Torr)
logP: 4.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

22679-54-5

SMILES

CC(C)(C)c1ccc(C(=O)c2ccccc2)cc1

InChIKey

DFYJCXSOGSYMAJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H18O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12H,1-3H3

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Names and synonyms

5 names

Methanone, [4-(1,1-dimethylethyl)phenyl]phenyl-
Benzophenone, 4-tert-butyl-
[4-(1,1-Dimethylethyl)phenyl]phenylmethanone
p-tert-Butylbenzophenone
(4-(tert-Butyl)phenyl)(phenyl)methanone

Work with 4-tert-Butylbenzophenone

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-Dibenzoylbenzene3016-97-564 % similar 4′-Trifluoromethylbenzophenone728-86-961 % similar 4-Methylbenzophenone134-84-957 % similar 4-Phenylbenzophenone2128-93-055 % similar 4′-tert-Butylacetophenone943-27-155 % similar tert-Butylbenzene98-06-654 % similar 4-tert-Butylbenzoyl chloride1710-98-153 % similar Para-tert-butylbenzoic acid98-73-753 % similar

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

Same formula

1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-4

Elsewhere

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