Basic information
- Standard SMILES
N#CC(c1ccccc1)C(CC(=O)OCC#CCO)c1ccccc1- InChIKey
ZKDZFEMWSRGYTQ-UHFFFAOYSA-N- Molecular formula
- C21H19NO3
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-2-butynyl 4-Cyano-3,4-diphenylbutyrate
- IUPAC
- 4-hydroxybut-2-ynyl 4-cyano-3,4-diphenylbutanoate
Names & synonyms
SCHEMBL11153291ZKDZFEMWSRGYTQ-UHFFFAOYSA-N4-Hydroxy-2-butynyl 4-Cyano-3,4-diphenylbutyrate
Database identifiers
- PubChem CID
- 12834844
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Related reactions
6 records
Compound notes
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