Basic information
- Standard SMILES
CCc1cc(Oc2ccc(Br)cc2F)ccc1C1C(=O)C(C)(C)OC(C)(C)C1=O- InChIKey
JKEXEHAELZSWQT-UHFFFAOYSA-N- Molecular formula
- C23H24BrFO4
- Average molar mass
- 463.3 g/mol
Names & identifiers
- Preferred name
- 4-[4-(4-Bromo-2-fluorophenoxy)-2-ethylphenyl]-2,2,6,6-tetramethylpyran-3,5-dione
- IUPAC
- 4-[4-(4-bromo-2-fluorophenoxy)-2-ethylphenyl]-2,2,6,6-tetramethyloxane-3,5-dione
Names & synonyms
SCHEMBL402927JKEXEHAELZSWQT-UHFFFAOYSA-N4-[4-(4-bromo-2-fluorophenoxy)-2-ethylphenyl]-2,2,6,6-tetramethylpyran-3,5-dione
Database identifiers
- PubChem CID
- 49765462
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
Related reactions
1 records
Compound notes
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