Basic information
- Standard SMILES
Cc1cccc(CC(=O)CC(C)C)c1- InChIKey
RKFMRIOWPNGTDS-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 4-Methyl-1-(3-toluyl)-pentan-2-one
- IUPAC
- 4-methyl-1-(3-methylphenyl)pentan-2-one
Names & synonyms
SCHEMBL3127902RKFMRIOWPNGTDS-UHFFFAOYSA-N4-methyl-1-(3-toluyl)-pentan-2-one
Database identifiers
- PubChem CID
- 39238293
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
- Formal charge
- 0
- Complexity
- 184
Related reactions
1 records
Compound notes
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