8-Hydroxy-7-methoxyflavone
Basic information
- CAS
40316-76-5- Standard SMILES
COc1ccc2c(=O)cc(-c3ccccc3)oc2c1O- InChIKey
YUFKWMXGTOJNRX-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Overview
8-hydroxy-7-methoxyflavone is a monomethoxyflavone and a monohydroxyflavone.
Names & identifiers
- Preferred name
- 8-Hydroxy-7-methoxyflavone
- IUPAC
- 8-hydroxy-7-methoxy-2-phenylchromen-4-one
- English name
- 8-HYDROXY-7-METHOXYFLAVONE
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
8-hydroxy-7-methoxyflavone8-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one8-hydroxy-7-methoxy-2-phenylchromen-4-one8-OH-7-OCH3-flavone8-hydroxy-7-methoxy-flavoneDTXSID50350269RefChem:107144DTXCID10301338YUFKWMXGTOJNRX-UHFFFAOYSA-N40316-76-5MFCD000177004H-1-Benzopyran-4-one, 8-hydroxy-7-methoxy-2-phenyl-
Show more names
7-Methoxy-8-hydroxyflavone8-Hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one; 8-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one; 8-Hydroxy-7-methoxyflavone;TNP00044CHEMBL243663SCHEMBL4650053SCHEMBL30623098CHEBI:192766FH66580
Database identifiers
- CAS
40316-76-5- PubChem CID
- 676299
- DTXSID
DTXSID50350269- ChEMBL
CHEMBL243663- ChEBI
CHEBI:192766- EC Number
- 106-904-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
LogP2.9
Physicochemical properties
- Melting point
- 226 · 226-227°C
- Boiling point
- 464.6 · 464.6±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Sonicated)
- form
- Solid
- pka
- 8 · 8.00±0.40(Predicted)
- color
- Pale Yellow to Yellow
- InChI
- 1S/C16H12O4/c1-19-13-8-7-11-12(17)9-14(20-16(11)15(13)18)10-5-3-2-4-6-10/h2-9,18H,1H3
- InChIKey
- YUFKWMXGTOJNRX-UHFFFAOYSA-N
- SMILES
- COc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Chemistry & industry
Applications
Uses8-Hydroxy-7-methoxyflavone is a flavonoid related compound that exhibits antioxidant properties reported to play an important role in the alleviation of diabetes mellitus.
Additional notes
DefinitionChEBI: 8-hydroxy-7-methoxyflavone is a monomethoxyflavone and a monohydroxyflavone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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