Basic information
- Standard SMILES
CCCCC12CCC(=O)C(c3ccc(OCOC)cc3)=C1c1ccc(OC)cc1C2- InChIKey
JPACQYBTBRXUGT-UHFFFAOYSA-N- Molecular formula
- C26H30O4
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- 9a-butyl-7-methoxy-4-(4-methoxymethoxy-phenyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 9a-butyl-7-methoxy-4-[4-(methoxymethoxy)phenyl]-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2416968JPACQYBTBRXUGT-UHFFFAOYSA-N9a-butyl-7-methoxy-4-(4-methoxymethoxy-phenyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990890
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 633
Related reactions
3 records
Compound notes
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