Basic information
- CAS
70460-53-6- Standard SMILES
COC1(O)C(=O)c2ccccc2OC1(OC)c1ccc(Cl)cc1- InChIKey
FIVBZLREOKLZCF-UHFFFAOYSA-N- Molecular formula
- C17H15ClO5
- Average molar mass
- 334.7 g/mol
- Monoisotopic mass
- 334.0608013
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3-hydroxy-2,3-dimethoxy-2,3-dihydro-4H-chromen-4-one
- IUPAC
- 2-(4-chlorophenyl)-3-hydroxy-2,3-dimethoxychromen-4-one
Names & synonyms
70460-53-62-(4-Chlorophenyl)-3-hydroxy-2,3-dimethoxy-2,3-dihydro-4H-chromen-4-oneNSC102040NSC 102040CHEMBL483636DTXSID70990666NSC-1020402-(4-chlorophenyl)-3-hydroxy-2,3-dimethoxy-chroman-4-one2-(4-Chlorophenyl)-3-hydroxy-2,3-dimethoxy-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
70460-53-6- PubChem CID
- 265709
- DTXSID
DTXSID70990666- ChEMBL
CHEMBL483636- Nikkaji
- J472.369D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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