Basic information
- Standard SMILES
COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(O)c1OC- InChIKey
IRKBYACLGSSVDO-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2NO4
- Average molar mass
- 342.2 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Dichloro-pyridin-4-yl)-1-(2-hydroxy-3,4-dimethoxy-phenyl)-ethanone
- IUPAC
- 2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
Names & synonyms
SCHEMBL885298IRKBYACLGSSVDO-UHFFFAOYSA-N2-(3,5-Dichloro-pyridin-4-yl)-1-(2-hydroxy-3,4-dimethoxy-phenyl)-ethanone
Database identifiers
- PubChem CID
- 24829338
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
4 records
Compound notes
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