Basic information
- Standard SMILES
CCCCC12CCC(=O)C(Br)=C1c1ccc(OC)cc1C2- InChIKey
SPAFSWGQVXGSKT-UHFFFAOYSA-N- Molecular formula
- C18H21BrO2
- Average molar mass
- 349.3 g/mol
Names & identifiers
- Preferred name
- 4-bromo-9a-butyl-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 4-bromo-9a-butyl-7-methoxy-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2417960SPAFSWGQVXGSKT-UHFFFAOYSA-N4-bromo-9a-butyl-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990931
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 456
Related reactions
5 records
Compound notes
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