4-Ethylbenzophenone

C15H14OCAS 18220-90-1210.28 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C15H14O
Molar mass
210.28 g/mol
Exact mass
210.1045 Da
Density
1.069 g/mL (at 20 °C)
Boiling point
325–326 °C (at 720 Torr)
logP
3.48Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
18220-90-1
SMILES
CCc1ccc(C(=O)c2ccccc2)cc1
InChIKey
IJUPTKULISHEID-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3

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Names and synonyms

4 names
  • Methanone, (4-ethylphenyl)phenyl-
  • Benzophenone, 4-ethyl-
  • (4-Ethylphenyl)phenylmethanone
  • p-Ethylbenzophenone

Work with 4-Ethylbenzophenone

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-(Bromomethyl)benzophenone32752-54-861 % similar Benzophenone119-61-960 % similar 4-Methylbenzophenone134-84-957 % similar 4-Phenylbenzophenone2128-93-055 % similar 4-Ethylbenzamide33695-58-855 % similar 4′-Ethylacetophenone937-30-455 % similar Ethylbenzene100-41-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzyl ketone102-04-5 Dihydrochalcone1083-30-3 2,4-Dimethylbenzophenone1140-14-3 4-Methoxystilbene1142-15-0 Dibenzosuberol1210-34-0 3,4'-Dimethylbenzophenone13152-94-8 9,9-Dimethyl-9H-xanthene19814-75-6 3,4-Dimethylbenzophenone2571-39-3

Elsewhere

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