Basic information
- Standard SMILES
CCCCC12CCC(=O)C(Cc3ccccc3)=C1c1ccc(OC)cc1C2- InChIKey
PALXDCLREZPFAK-UHFFFAOYSA-N- Molecular formula
- C25H28O2
- Average molar mass
- 360.5 g/mol
Names & identifiers
- Preferred name
- 4-Benzyl-9a-butyl-7-methoxy-1,2,9,9a-tetrahydrofluoren-3-one
- IUPAC
- 4-benzyl-9a-butyl-7-methoxy-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2418341PALXDCLREZPFAK-UHFFFAOYSA-N4-benzyl-9a-butyl-7-methoxy-1,2,9,9a-tetrahydrofluoren-3-one4-benzyl-9a-butyl-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990905
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 571
Related reactions
4 records
Compound notes
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