9a-butyl-8-chloro-4-(1-ethoxyvinyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C=C(OCC)C1=C2c3ccc(OC)c(Cl)c3CC2(CCCC)CCC1=O- InChIKey
HEDHJYFIESDNCA-UHFFFAOYSA-N- Molecular formula
- C22H27ClO3
- Average molar mass
- 374.9 g/mol
Names & identifiers
- Preferred name
- 9a-butyl-8-chloro-4-(1-ethoxyvinyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 9a-butyl-8-chloro-4-(1-ethoxyethenyl)-7-methoxy-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2417395HEDHJYFIESDNCA-UHFFFAOYSA-N9a-butyl-8-chloro-4-(1-ethoxyvinyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990909
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 596
Related reactions
4 records
Compound notes
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