Back to Search
Rhamnetin
CAS: 90-19-7 | C16H12O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-19-7
Molecular Formula:
C16H12O7
Molecular Mass:
316.27 g/mol
Names and Synonyms:
Rhamnetin
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-
Rhamnetin
Flavone, 3,3′,4′,5-tetrahydroxy-7-methoxy-
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
C.I. 75690
7-Methoxyquercetin
7-Methylquercetin
7-O-Methylquercetin
Quercetin 7-methyl ether
β-Rhamnocitrin
3,3′,4′,5-Tetrahydroxy-7-methoxyflavone
3,5,3′,4′-Tetrahydroxy-7-methoxyflavone
LY 805921
NSC 19802
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one
Identifiers:
SMILES:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1
InChI:
InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
Key Properties
Melting Point
295 °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 |
|---|
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 | 316.27 g/mol | CAS Common Chemistry |
| 316.26500000000004 g/mol | RDKit | |
| 316.058302724 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Rhamnetin | CAS Common Chemistry |
| Canonical SMILES | O=C1C(O)=C(OC2=CC(OC)=CC(O)=C12)C=3C=CC(O)=C(O)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGUZGNYPMHHYRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 295 °C | CAS Common Chemistry |
| Name | Rhamnetin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 120.36000000000001 Ų | RDKit |
| LogP | 2.2910000000000013 | RDKit |
| Molar Refractivity | 81.13119999999999 | RDKit |
