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Basic information
- Standard SMILES
COC1=CC(=O)C2C(C1=O)C(c1ccc(OC)c(OC)c1)[C@H]2C- InChIKey
RWEAKXVIDIGXGD-QRELXHCTSA-N- Molecular formula
- C18H20O5
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.13107373
Names & identifiers
- Preferred name
- (7R)-8-(3,4-dimethoxyphenyl)-3-methoxy-7-methylbicyclo[4.2.0]oct-3-ene-2,5-dione
- IUPAC
- (7R)-8-(3,4-dimethoxyphenyl)-3-methoxy-7-methylbicyclo[4.2.0]oct-3-ene-2,5-dione
Names & synonyms
NSC649983NSC-649983NCI60_017431
Database identifiers
- PubChem CID
- 373530
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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