(7S)-8-(4-chlorophenyl)-3-methoxy-7-methylbicyclo[4.2.0]oct-3-ene-2,5-dione
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Basic information
- Standard SMILES
COC1=CC(=O)C2C(C1=O)C(c1ccc(Cl)cc1)[C@@H]2C- InChIKey
VEBNWWHDKABEOT-UZHNVFPFSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- (7S)-8-(4-chlorophenyl)-3-methoxy-7-methylbicyclo[4.2.0]oct-3-ene-2,5-dione
- IUPAC
- (7S)-8-(4-chlorophenyl)-3-methoxy-7-methylbicyclo[4.2.0]oct-3-ene-2,5-dione
Names & synonyms
NSC649984NSC-649984NCI60_017432
Database identifiers
- PubChem CID
- 373531
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- 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
- 462
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Compound notes
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