2,3,5,9-Tetramethyl-7H-furo[3,2-g]chromen-7-one
Basic information
- CAS
113969-43-0- Standard SMILES
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1C- InChIKey
DVOLAHSMUDBQNV-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 2,3,5,9-Tetramethyl-7H-furo[3,2-g]chromen-7-one
- IUPAC
- 2,3,5,9-tetramethylfuro[3,2-g]chromen-7-one
- English name
- 2,3,5,9-tetramethyl-7H-furo[3,2-g][1]benzopyran-7-one
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
113969-43-02,3,5,9-Tetramethyl-7H-furo[3,2-g]chromen-7-one2,3,5,9-tetramethylfuro[3,2-g]chromen-7-one2,3,5,9-Tetramethyl-7H-furo[3,2-g][1]benzopyran-7-one2,?3,?5,?9-?Tetramethyl-?7H-?furo[3,?2-?g]?chromen-?7-?oneSCHEMBL4194826DTXSID20358651EiM07-20390STL462787AKOS0168460647H-Furo[3,2-g][1]benzopyran-7-one, 2,3,5,9-tetramethyl-
Database identifiers
- CAS
113969-43-0- PubChem CID
- 907615
- DTXSID
DTXSID20358651
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 414.9 · 414.9±33.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses2,3,5,9-Tetramethyl-7H-furo[3,2-g]chromen-7-one is a 8-Methoxy Psoralen derivative (Cat# M260795) which exhibits antifungal activity.
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Related reactions
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Compound notes
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