Basic information
- CAS
4258-37-1- Standard SMILES
CC(=Cc1ccccc1)C(=O)c1ccccc1- InChIKey
DKKXNYQFLLVEHQ-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- alpha-Methylchalcone
- IUPAC
- 2-methyl-1,3-diphenylprop-2-en-1-one
Names & synonyms
alpha-Methylchalcone4258-37-1Chalcone, alpha-methyl-MLS003106952BenzalpropiophenonSCHEMBL351852CHEMBL2361282DKKXNYQFLLVEHQ-UHFFFAOYSA-NNSC 224125NSC 401989SMR001821836
Database identifiers
- CAS
4258-37-1- PubChem CID
- 99812
- ChEMBL
CHEMBL2361282
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
2 records
Compound notes
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