Basic information
- Standard SMILES
CCCCCC(=O)C=Cc1ccc(Cl)cc1- InChIKey
YRDJETYZYPIRRI-UHFFFAOYSA-N- Molecular formula
- C14H17ClO
- Average molar mass
- 236.73 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-1-octen-3-one
- IUPAC
- 1-(4-chlorophenyl)oct-1-en-3-one
Names & synonyms
1-(4-chlorophenyl)-1-octen-3-oneSCHEMBL9801571YRDJETYZYPIRRI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 54522967
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
6 records
Compound notes
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