4-Methyl-1-(4-toluyl)-pentan-2-one

HCID 39238296
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Basic information

Standard SMILES
Cc1ccc(CC(=O)CC(C)C)cc1
InChIKey
BWQBRHDVGPMNOG-UHFFFAOYSA-N
Molecular formula
C13H18O
Average molar mass
190.28 g/mol
Monoisotopic mass
190.13576519

Names & identifiers

Preferred name
4-Methyl-1-(4-toluyl)-pentan-2-one
IUPAC
4-methyl-1-(4-methylphenyl)pentan-2-one

Names & synonyms

4-methyl-1-(4-toluyl)-pentan-2-oneSCHEMBL3121129BWQBRHDVGPMNOG-UHFFFAOYSA-N4-methyl-1-(p-tolyl)pentan-2-one4-methyl-1-(4-methylphenyl)pentan-2-one

Database identifiers

PubChem CID
39238296

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
14

Related reactions

1 records
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Compound notes

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