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Molecule
6,7-Dimethoxy-4-Hydroxyquinoline
CAS: 13425-93-9 · C11H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13425-93-9
- Molecular Formula
- C11H11NO3
- Molecular Mass
- 205.21 g/mol
Identifiers
CAS Registry Number
13425-93-9
SMILES
COc1cc2[nH]ccc(=O)c2cc1OC
InChI Key
QOGPNCUTXVZQSL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)
Names and Synonyms
- 6,7-Dimethoxy-4-Hydroxyquinoline Synonym
- 4-Quinolinol, 6,7-dimethoxy- Synonym
- 6,7-Dimethoxy-4-quinolinol Synonym
- 6,7-Dimethoxy-4-hydroxyquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.21 g/mol | CAS Common Chemistry |
| 205.21299999999997 g/mol | RDKit | |
| 205.213 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CN=C2C=C(OC)C(OC)=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=QOGPNCUTXVZQSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 224-225 °C | CAS Common Chemistry |
| Name | 6,7-Dimethoxy-4-hydroxyquinoline | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 51.32000000000001 Ų | RDKit |
| 51.32 Ų | RDKit | |
| 47.53 Ų | chempirical lib | |
| LogP | 1.5453 | RDKit |
| Molar Refractivity | 57.67270000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 205.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 205.21 g/mol. Edit any field — others recompute live.
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