Basic information
- Standard SMILES
CCCCC12CCC(=O)C=C1c1ccc(OC)c(C)c1C2- InChIKey
GFUBTHLTZKDUTG-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- 9a-butyl-7-methoxy-8-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 9a-butyl-7-methoxy-8-methyl-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2415516GFUBTHLTZKDUTG-UHFFFAOYSA-N9a-butyl-7-methoxy-8-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990884
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Related reactions
5 records
Compound notes
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