Basic information
- CAS
32274-69-4- Standard SMILES
COc1ccc(C(=O)C=Cc2cccc(O)c2)c(O)c1- InChIKey
REZLOMBHXVOHSX-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- trans-2',3-Dihydroxy-4'-methoxychalcone
- IUPAC
- 1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
- English name
- 1-(2-Hydroxy-4-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
32274-69-41-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-onetrans-2',3-Dihydroxy-4'-methoxychalconeSCHEMBL21527675DTXSID103816752',3-Dihydroxy-4'-methoxychalcone2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxyphenyl)-
Database identifiers
- CAS
32274-69-4- PubChem CID
- 2780607
- DTXSID
DTXSID10381675
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 522.1 · 522.1±50.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 7.22 · 7.22±0.35(Predicted)
Chemistry & industry
Suppliers1 total
上海达立康医药科技有限公司18658316824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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