1-(2,6-Dichloro-4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
Basic information
- CAS
75315-46-7- Standard SMILES
COc1c(O)c(OC)c(Cl)c(CC(C)=O)c1Cl- InChIKey
BQQVKGSYWNRUGH-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2O4
- Average molar mass
- 279.11 g/mol
- Monoisotopic mass
- 278.0112642
Names & identifiers
- Preferred name
- 1-(2,6-Dichloro-4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
- IUPAC
- 1-(2,6-dichloro-4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
Names & synonyms
1-(2,6-dichloro-4-hydroxy-3,5-dimethoxyphenyl)propan-2-one75315-46-7DTXSID50226273
Database identifiers
- CAS
75315-46-7- PubChem CID
- 53222
- DTXSID
DTXSID50226273
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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