2-methyl-1-(4-methylphenyl)pentan-1-one

Systemtic Name: 2-methyl-1-(4-methylphenyl)pentan-1-one Openeye Name: 2-methyl-1-(p-tolyl)pentan-1-one CAS Name: 2-methyl-1-(4-methylphenyl)-1-pentanone IUPAC Name: 2-methyl-1-(4-methylphenyl)pentan-1-one Traditional Name: 2-methyl-1-(p-tolyl)pentan-1-one Formula: C13H18O MolecularWeight: 190.28142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C)C(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H18O/c1-4-5-11(3)13(14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3