Basic information
- Standard SMILES
CCOC(=O)C(=Cc1ccc(C)cc1)C(C)=O- InChIKey
DJAQTUIQHBGIGC-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
Names & identifiers
- Preferred name
- 3-Carboethoxy-4-(4-methylphenyl)but-3-en-2-one
- IUPAC
- ethyl 2-[(4-methylphenyl)methylidene]-3-oxobutanoate
Names & synonyms
SCHEMBL10890390DJAQTUIQHBGIGC-UHFFFAOYSA-N3-carboethoxy-4-(4-methylphenyl)but-3-en-2-one
Database identifiers
- PubChem CID
- 367489
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
2 records
Compound notes
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