Basic information
- CAS
59721-35-6- Standard SMILES
CC(=O)/C=C(\C)c1ccc(C2CCCCC2)c(Cl)c1- InChIKey
VPVGSKZMZKFIDJ-ZRDIBKRKSA-N- Molecular formula
- C17H21ClO
- Average molar mass
- 276.8 g/mol
- Monoisotopic mass
- 276.12809297
Names & identifiers
- Preferred name
- (E)-4-(3-Chloro-4-cyclohexyl-phenyl)-3-pentene-2-one
- IUPAC
- (E)-4-(3-chloro-4-cyclohexylphenyl)pent-3-en-2-one
Names & synonyms
SCHEMBL11799773VPVGSKZMZKFIDJ-ZRDIBKRKSA-NDTXSID801211896(3E)-4-(3-Chloro-4-cyclohexylphenyl)pent-3-en-2-one(E)-4-(3-Chloro-4-cyclohexyl-phenyl)-3-pentene-2-one3-Penten-2-one, 4-(3-chloro-4-cyclohexylphenyl)-, (E)-59721-35-6
Database identifiers
- CAS
59721-35-6- PubChem CID
- 68133285
- DTXSID
DTXSID801211896
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Related reactions
1 records
Compound notes
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