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5,7,3′,4′-Tetramethoxyflavone
CAS: 855-97-0 | C19H18O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
855-97-0
Molecular Formula:
C19H18O6
Molecular Mass:
342.35 g/mol
Names and Synonyms:
5,7,3′,4′-Tetramethoxyflavone
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
Flavone, 3′,4′,5,7-tetramethoxy-
2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Luteolin tetramethyl ether
Tetramethyl camphoral
3′,4′,5,7-Tetramethoxyflavone
5,7,3′,4′-Tetramethoxyflavone
Luteolin 5,7,3′,4′-tetramethyl ether
5,7,3′,4′-Pentamethoxyflavone
2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
2-(3,4-Dimethoxyphenyl)-5,7-dimethoxychromen-4-one
Identifiers:
SMILES:
COc1cc(OC)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1
InChI:
InChI=1S/C19H18O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-10H,1-4H3
Key Properties
Melting Point
192 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.35 g/mol | CAS Common Chemistry |
| 342.3470000000001 g/mol | RDKit | |
| 342.11033829599995 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(OC2=CC(OC)=CC(OC)=C12)C=3C=CC(OC)=C(OC)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H18O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-10H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CLXVBVLQKLQNRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | 5,7,3′,4′-Tetramethoxyflavone | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 67.13000000000001 Ų | RDKit |
| LogP | 3.4944000000000024 | RDKit |
| Molar Refractivity | 94.12800000000003 | RDKit |
