2',3'-Dimethylacetophenone

C₁₀H₁₂OCAS 2142-71-4148.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O
Molar mass: 148.20 g/mol
Exact mass: 148.0888 Da
logP: 2.51Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2142-71-4

SMILES

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

InChIKey

YXJIYJZHAPHBHG-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6H,1-3H3

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Names and synonyms

1 names

2,3-Dimethylacetophenone

Work with 2',3'-Dimethylacetophenone

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

2′-Methylacetophenone577-16-268 % similar 2,3-Dimethylbenzene-1-carbonyl chloride21900-46-959 % similar 2,3-Dimethylbenzoic acid603-79-259 % similar 1,2-Diacetylbenzene704-00-756 % similar 2′-Chloroacetophenone2142-68-950 % similar 2'-Iodoacetophenone2142-70-350 % similar 1,2,3-Trimethylbenzene526-73-850 % similar 2,3-Dimethylbenzamide5580-34-750 % 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 1-(4-Methylphenyl)propan-2-one2096-86-8 1-(2,5-Dimethylphenyl)ethanone2142-73-6

Elsewhere

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