3-Methoxyflavone
Basic information
- CAS
7245-02-5- Standard SMILES
COc1c(-c2ccccc2)oc2ccccc2c1=O- InChIKey
ZAIANDVQAMEDFL-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Overview
from Aspergillus niger; structure in first source
Names & identifiers
- Preferred name
- 3-Methoxyflavone
- IUPAC
- 3-methoxy-2-phenylchromen-4-one
- English name
- 3-Methoxyflavone
- Molecular formula
- C16H12O3
- Molecular weight
- 252.27
Names & synonyms
3-Methoxyflavone7245-02-53-methoxy-2-phenylchromen-4-one4H-1-Benzopyran-4-one, 3-methoxy-2-phenyl-V3ZW15O8B63-Methoxy-2-phenyl-4H-1-benzopyran-4-oneDTXSID10222751RefChem:911487DTXCID401452423-methoxy-2-phenyl-4H-chromen-4-one3-Methoxyflavon3-Methoxy-2-phenyl-chromen-4-one
Show more names
KarinjinMETHOXYFLAVONE, 3-3-Methoxyflavone>3-METHOXYFLAVONE 99%3-methoxy-2-phenyl-chromone3-Methoxyflavone, 10 mM in DMSO2-Phenyl-3-methoxy-4H-1-benzopyran-4-one
MFCD00017612FLAVONE, 3-METHOXY-CHEMBL144625HY-N9499BDBM50439849AKOS015916540CCG-250410PD158827
Database identifiers
- CAS
7245-02-5- PubChem CID
- 146013
- DTXSID
DTXSID10222751- ChEMBL
CHEMBL144625- UNII
- V3ZW15O8B6
- Nikkaji
- J936I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP3.18
Physicochemical properties
- Melting point
- 114 · 114-115 °C (dec.)(lit.)
- Boiling point
- 408.4 · 408.4±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (396.42 mM; Need ultrasonic)
- form
- powder to crystal
- color
- White to Almost white
- λmax
- 299 nm · 299nm(EtOH)(lit.)
- LogP
- 2.84 · 2.840 (est)
- FDA UNII
- 3 ZW15O8B6 · V3ZW15O8B6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- wgk
- 3
- hs_code
- 2932.99.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Applications
Uses3-Methoxyflavone is a flavonoid compound isolated from Artemisia incanescens with antiviral activity[1][2].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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