Basic information
- CAS
14585-15-0- Standard SMILES
COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3OC)oc2c1- InChIKey
NTNCTDGFHLGZFX-UHFFFAOYSA-N- Molecular formula
- C19H18O6
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11033829
Names & identifiers
- Preferred name
- Flavone, 2',3,5,7-tetramethoxy-
- IUPAC
- 3,5,7-trimethoxy-2-(2-methoxyphenyl)chromen-4-one
- English name
- 2',3,5,7-Tetramethoxyflavone
- Molecular formula
- C19H18O6
- Molecular weight
- 342.34
Names & synonyms
Flavone, 2',3,5,7-tetramethoxy-14585-15-0NTNCTDGFHLGZFX-UHFFFAOYSA-NDTXSID8011944183,5,7-Trimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one #3,5,7-Trimethoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one2',3,5,7-Tetramethoxyflavone4H-1-Benzopyran-4-one, 3,5,7-trimethoxy-2-(2-methoxyphenyl)-
Database identifiers
- CAS
14585-15-0- PubChem CID
- 628412
- DTXSID
DTXSID801194418- Nikkaji
- J117.958F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 169 · 169-170 °C
- Boiling point
- 548.9 · 548.9±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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