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Molecule
7,8-Dihydroxyflavone
CAS: 38183-03-8 · C15H10O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38183-03-8
- Molecular Formula
- C15H10O4
- Molecular Mass
- 254.24 g/mol
Identifiers
CAS Registry Number
38183-03-8
SMILES
O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12
InChI Key
COCYGNDCWFKTMF-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
Names and Synonyms
- 7,8-Dihydroxyflavone Synonym
- 4H-1-Benzopyran-4-one, 7,8-dihydroxy-2-phenyl- Synonym
- Flavone, 7,8-dihydroxy- Synonym
- 7,8-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one Synonym
- 7,8-Dihydroxyflavone Synonym
- 7,8-Dihydroxy-2-phenyl-4H-chromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.24 g/mol | CAS Common Chemistry |
| 254.24099999999999 g/mol | RDKit | |
| 254.241 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(OC2=C(O)C(O)=CC=C12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H | CAS Common Chemistry |
| InChI Key | InChIKey=COCYGNDCWFKTMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240-242 °C | CAS Common Chemistry |
| Name | 7,8-Dihydroxyflavone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 70.67 Ų | RDKit |
| 66.76 Ų | chempirical lib | |
| LogP | 2.871200000000001 | RDKit |
| 2.8712 | RDKit | |
| Molar Refractivity | 71.24960000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 254.0579088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 254.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O4.
