2',3'-Dimethoxy-3-hydroxyflavone
Basic information
- CAS
80710-38-9- Standard SMILES
COc1cccc(-c2oc3ccccc3c(=O)c2O)c1OC- InChIKey
KEUIFZDBIBQKJD-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- 2',3'-Dimethoxy-3-hydroxyflavone
- IUPAC
- 2-(2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
- English name
- 2-(2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
2',3'-Dimethoxy-3-hydroxyflavone80710-38-92-(2,3-dimethoxyphenyl)-3-hydroxychromen-4-oneMFCD037883902',3'-Dimethoxyflavonol2-(2,3-Dimethoxyphenyl)-3-hydroxy-4H-chromen-4-oneSCHEMBL4649956KEUIFZDBIBQKJD-UHFFFAOYSA-NDTXSID101371857SBB002385AKOS024285756FD66608
Show more names
ST0865112-(2,3-Dimethoxyphenyl)-3-hydroxyflavoneNS001162422-(2,3-dimethoxyphenyl)-3-hydroxy-chromen-4-one4H-1-Benzopyran-4-one, 2-(2,3-dimethoxyphenyl)-3-hydroxy-
Database identifiers
- CAS
80710-38-9- PubChem CID
- 688713
- DTXSID
DTXSID101371857
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 460.8 · 460.8±45.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- pka
- 8.63 · 8.63±0.20(Predicted)
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Hydroxy-2p,3p-dimethoxyflavone has known human metabolites that include 6-[2-(2,3-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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