2',4'-Dihydroxy-2,3-dimethoxychalcone
Basic information
- Standard SMILES
COc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1OC- InChIKey
JUCNRAJYHMZLOT-RMKNXTFCSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Names & identifiers
- Preferred name
- 2',4'-Dihydroxy-2,3-dimethoxychalcone
- IUPAC
- (E)-1-(2,4-dihydroxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
Names & synonyms
2',4'-DIHYDROXY-2,3-DIMETHOXYCHALCONE2,3-Dimethoxy-2',4'-dihydroxychalconeSCHEMBL634205CHEMBL5279487JUCNRAJYHMZLOT-RMKNXTFCSA-NDTXSID901371906ST503089612',4'-Dihydroxy-2,3-dimethoxychalcone, AldrichCPR(2E)-1-(2,4-Dihydroxyphenyl)-3-(2,3-dimethoxyphenyl)-2-propen-1-one #(2E)-1-(2,4-dihydroxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
Database identifiers
- PubChem CID
- 5377844
- DTXSID
DTXSID901371906- ChEMBL
CHEMBL5279487
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
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Related reactions
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Compound notes
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