Basic information
- Standard SMILES
COc1ccc2c(c1)CC1(C)CCC(=O)C(Br)=C21- InChIKey
CWFHRIKPFHEZBF-UHFFFAOYSA-N- Molecular formula
- C15H15BrO2
- Average molar mass
- 307.18 g/mol
- Monoisotopic mass
- 306.02554
Names & identifiers
- Preferred name
- 4-bromo-7-methoxy-9a-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 4-bromo-7-methoxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2417699CWFHRIKPFHEZBF-UHFFFAOYSA-N4-bromo-7-methoxy-9a-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990860
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Related reactions
3 records
Compound notes
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