chempirical

4-Ethylphenylacetone

C11H14OCAS 75251-24-0162.23 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H14O
Molar mass
162.23 g/mol
Exact mass
162.1045 Da
logP
2.38Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
75251-24-0
SMILES
CCC1=CC=C(C=C1)CC(=O)C
InChIKey
DNAGWILBAXAZOH-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h4-7H,3,8H2,1-2H3

Weigh it out

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Work with 4-Ethylphenylacetone

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-Methylphenyl)propan-2-one2096-86-864 % similar 1-(4-Bromophenyl)propan-2-one6186-22-764 % similar 4-Hydroxyphenylacetone770-39-864 % similar Phenylacetone103-79-763 % similar (4-Fluorophenyl)acetone459-03-062 % similar (4-Chlorophenyl)acetone5586-88-962 % similar 4-Pyridylacetone6304-16-159 % similar 4-Methoxyphenylacetone122-84-958 % similar

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

Same formula

Valerophenone1009-14-9 4-Butylbenzaldehyde1200-14-2 2′,4′,6′-Trimethylacetophenone1667-01-2 2'-Ethylpropiophenone16819-79-7 1-(2,4,5-Trimethylphenyl)ethanone2040-07-5 Allyl alcohol-styrene copolymer25119-62-4 4'-Ethylpropiophenone27465-51-6 3-Methyl-1-phenyl-2-butanone2893-05-2

Elsewhere

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