Molecule ID: 590252

IUPAC Name: 2-chloro-3-methyl-1-(4-propan-2-ylphenyl)butan-1-one

Description: The molecule is an aromatic ketone that is 1-(4-isopropylphenyl)-3-methyl-1-butanone in which one of the methylene hydrogens adjacent to the keto group has been replaced by a chloro group. It is an alpha-chloroketone and an aromatic ketone.

SMILES: CC(C)c1ccc(C(=O)C(Cl)C(C)C)cc1

SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][Cl][C][Branch1][C][C][C][C][=C][Ring1][=N]

InChI: InChI=1S/C14H19ClO/c1-9(2)11-5-7-12(8-6-11)14(16)13(15)10(3)4/h5-10,13H,1-4H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 4.7