7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
Basic information
- CAS
72357-36-9- Standard SMILES
COc1c(-c2ccccc2)oc2cc3c(c(OC)c2c1=O)OCO3- InChIKey
FMGYNNLSADZXSW-UHFFFAOYSA-N- Molecular formula
- C18H14O6
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.07903816
Overview
3,5-Dimethoxy-6,7-methylenedioxyflavone is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
- IUPAC
- 7,9-dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
Names & synonyms
7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one3,5-Dimethoxy-6,7-methylenedioxyflavone72357-36-9DTXSID40333001CHEBI:196323LMPK121128117,9-Dimethoxy-6-phenyl-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one
Database identifiers
- CAS
72357-36-9- PubChem CID
- 477645
- DTXSID
DTXSID40333001- ChEBI
CHEBI:196323
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
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Related reactions
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Compound notes
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