Basic information
- Standard SMILES
COC1=C(c2c(C)cc(Br)cc2C)C(=O)C(Cc2ccccn2)C1- InChIKey
JCIYZIRNNMTBOY-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO2
- Average molar mass
- 386.3 g/mol
Names & identifiers
- Preferred name
- Rac-2-(4-bromo-2,6-dimethylphenyl)-3-methoxy-5-pyridin-2-ylmethylcyclopent-2-enone
- IUPAC
- 2-(4-bromo-2,6-dimethylphenyl)-3-methoxy-5-(pyridin-2-ylmethyl)cyclopent-2-en-1-one
Names & synonyms
SCHEMBL14992682JCIYZIRNNMTBOY-UHFFFAOYSA-Nrac-2-(4-bromo-2,6-dimethylphenyl)-3-methoxy-5-pyridin-2-ylmethylcyclopent-2-enone
Database identifiers
- PubChem CID
- 89600800
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Related reactions
3 records
Compound notes
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