6,8-Dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one
Basic information
- Standard SMILES
COc1ccc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1OC- InChIKey
PHAYCARGQPYORP-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2O4
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 350.0112642
Names & identifiers
- Preferred name
- 6,8-Dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one
- IUPAC
- 6,8-dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one
Names & synonyms
NSC6825656,8-dichloro-3-(3,4-dimethoxyphenyl)chromen-2-oneCHEMBL19713026,8-Dichloro-3-(3,4-dimethoxyphenyl)-2H-chromen-2-oneNSC-682565NCI60_029568
Database identifiers
- PubChem CID
- 388102
- ChEMBL
CHEMBL1971302
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…