Basic information
- Standard SMILES
CCCCCC[C@H](OC)c1cccc(C(=O)CCl)c1OC- InChIKey
SNXSMWYXYJIEOJ-INIZCTEOSA-N- Molecular formula
- C17H25ClO3
- Average molar mass
- 312.8 g/mol
Names & identifiers
- Preferred name
- (S)-2-chloro-1-(2-methyloxy-3-(1-methyloxyheptyl)phenyl)ethanone
- IUPAC
- 2-chloro-1-[2-methoxy-3-[(1S)-1-methoxyheptyl]phenyl]ethanone
Names & synonyms
SCHEMBL3070026SNXSMWYXYJIEOJ-INIZCTEOSA-N(S)-2-chloro-1-(2-methyloxy-3-(1-methyloxyheptyl)-phenyl)ethanone(S)-2-chloro-1-(2-methyloxy-3-(1-methyloxyheptyl)phenyl)ethanone
Database identifiers
- PubChem CID
- 59544890
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Related reactions
4 records
Compound notes
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