1-(4-Methylphenyl)propan-2-one

C₁₀H₁₂OCAS 2096-86-8148.20 g/mol

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Properties

Molecular formula: C₁₀H₁₂O
Molar mass: 148.20 g/mol
Exact mass: 148.0888 Da
logP: 2.13Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

2096-86-8

SMILES

CC1=CC=C(C=C1)CC(=O)C

InChIKey

NOXKUHSBIXPZBJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6H,7H2,1-2H3

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Names and synonyms

1 names

4-Methylphenylacetone

Work with 1-(4-Methylphenyl)propan-2-one

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

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 p-Tolylacetic acid622-47-957 % similar 1-(3,4-Dihydroxyphenyl)-2-propanone2503-44-856 % similar

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

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 2',3'-Dimethylacetophenone2142-71-4 1-(2,5-Dimethylphenyl)ethanone2142-73-6

Elsewhere

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