4-Methyl-1-p-tolyl-pent-1-en-3-one
Basic information
- Standard SMILES
Cc1ccc(C=CC(=O)C(C)C)cc1- InChIKey
JQTJAMXNMIMRDL-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 4-Methyl-1-p-tolyl-pent-1-en-3-one
- IUPAC
- 4-methyl-1-(4-methylphenyl)pent-1-en-3-one
Names & synonyms
SCHEMBL5645951JQTJAMXNMIMRDL-UHFFFAOYSA-N4-methyl-1-p-tolyl-pent-1-en-3-oneNCI60_018085
Database identifiers
- PubChem CID
- 374247
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Related reactions
3 records
Compound notes
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