6-Methylflavonol
Basic information
- CAS
6971-18-2- Standard SMILES
Cc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1- InChIKey
KLGALCMPMFKGDQ-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 6-Methylflavonol
- IUPAC
- 3-hydroxy-6-methyl-2-phenylchromen-4-one
- English name
- 3-Hydroxy-6-methylflavone
- Molecular formula
- C16H12O3
- Molecular weight
- 252.26
Names & synonyms
6-Methylflavonol6971-18-23-hydroxy-6-methylflavone3-hydroxy-6-methyl-2-phenyl-4H-chromen-4-oneNSC190293-hydroxy-6-methyl-2-phenylchromen-4-oneCHEMBL483835Flavone, 3-hydroxy-6-methyl-SCHEMBL46500644H-1-Benzopyran-4-one, 3-hydroxy-6-methyl-2-phenyl-DTXSID60280907KLGALCMPMFKGDQ-UHFFFAOYSA-N
Show more names
TNP00079NSC 19029NSC-19029AKOS001679080CCG-120298NCGC00017209-01NCGC00017209-02NCGC00142419-01
Database identifiers
- CAS
6971-18-2- PubChem CID
- 227445
- DTXSID
DTXSID60280907- ChEMBL
CHEMBL483835- Nikkaji
- J435.666G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 198 °C · 198 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 421.2 · 421.2±45.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 8.72 · 8.72±0.20(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Hydroxy-6-methylflavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(6-methyl-4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…