4'-Hydroxy-7-Methoxyflavone
Basic information
- CAS
32272-23-4- Standard SMILES
COc1ccc2c(=O)cc(-c3ccc(O)cc3)oc2c1- InChIKey
DZUKXCCSULKRJA-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Overview
7-methoxy-4'-hydroxyflavone has been reported in Gynerium sagittatum and Schnella guianensis with data available.
Names & identifiers
- Preferred name
- 4'-Hydroxy-7-Methoxyflavone
- IUPAC
- 2-(4-hydroxyphenyl)-7-methoxychromen-4-one
- English name
- 4'-Hydroxy-7-methoxyflavone
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
4'-Hydroxy-7-methoxyflavoneRefChem:506144109-169-6IsopratolTNP000582-(4-hydroxyphenyl)-7-methoxychromen-4-one4?-Hydroxy-7-methoxyflavone7-Methoxy-4'-hydroxyflavoneSCHEMBL312254CHEMBL1600520SCHEMBL30266579DZUKXCCSULKRJA-UHFFFAOYSA-N
Show more names
2-(4-HYDROXYPHENYL)-7-METHOXY-4H-CHROMEN-4-ONE4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-7-methoxy-
DTXSID301356401LMPK12110036AKOS024282393NCGC00017194-01NCGC00017194-02NCGC00142438-014'-hydroxy-7-methoxyflavone, AldrichCPRST056006
Database identifiers
- CAS
32272-23-4- PubChem CID
- 676307
- DTXSID
DTXSID301356401- ChEMBL
CHEMBL1600520- EC Number
- 109-169-6
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 395
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 267 °C · 267 °C(Solv: ethanol (64-17-5))
- Boiling point
- 477.7 · 477.7±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.30(Predicted)
- form
- solid
- InChI
- 1S/C16H12O4/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9,17H,1H3
- InChIKey
- DZUKXCCSULKRJA-UHFFFAOYSA-N
- SMILES
- COc1ccc2C(=O)C=C(Oc2c1)c3ccc(O)cc3
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
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
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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