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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC |
|---|---|
| IUPAC Name | 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one |
| InChIKey | CFUKYQSRIQIJIT-UHFFFAOYSA-N |
| INCHI | 1S/C19H20O6/c1-21-12-5-6-13-14(20)10-15(25-16(13)9-12)11-7-17(22-2)19(24-4)18(8-11)23-3/h5-9,15H,10H2,1-4H3 |
| Isómeros SMILES | COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC |
| PubChem CID | 11842476 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Flavonoids |
| Subclass | O-methylated flavonoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-O-methylated flavonoids |
| Alternative Parents | 4'-O-methylated flavonoids 3'-O-methylated flavonoids Flavanones Chromones Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Alkyl aryl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavanone - Flavan - Chromone - Benzopyran - Chromane - 1-benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Aryl ketone - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. |
| External Descriptors | Not available |
| Peso molecular | 344.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 344.126 Da |
| Monoisotopic Mass | 344.126 Da |
| Topological Polar Surface Area | 63.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 441.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |