(1S,6R,7S)-4-methoxy-1,8-dimethyl-7-phenylbicyclo[4.2.0]oct-3-ene-2,5-dione
Basic information
- Standard SMILES
COC1=CC(=O)[C@@]2(C)C(C)[C@H](c3ccccc3)[C@H]2C1=O- InChIKey
YZNPDKLMRJVDJS-KJFQIRSCSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- (1S,6R,7S)-4-methoxy-1,8-dimethyl-7-phenylbicyclo[4.2.0]oct-3-ene-2,5-dione
- IUPAC
- (1S,6R,7S)-4-methoxy-1,8-dimethyl-7-phenylbicyclo[4.2.0]oct-3-ene-2,5-dione
Names & synonyms
NSC649988NSC-649988NCI60_017436
Database identifiers
- PubChem CID
- 373535
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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