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Molecule
4-Hydroxy-2-Methylquinoline
CAS: 607-67-0 · C10H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 607-67-0
- Molecular Formula
- C10H9NO
- Molecular Mass
- 159.19 g/mol
Identifiers
CAS Registry Number
607-67-0
SMILES
Cc1cc(=O)c2ccccc2[nH]1
InChI Key
NWINIEGDLHHNLH-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
Names and Synonyms
- 4-Hydroxy-2-Methylquinoline Systematic Name
- 4-Quinolinol, 2-methyl- Synonym
- 2-Methyl-4-quinolinol Synonym
- 4-Hydroxyquinaldine Synonym
- 4-Hydroxy-2-methylquinoline Synonym
- NSC 21483 Synonym
- 2-Methyl-4-hydroxyquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.19 g/mol | CAS Common Chemistry |
| 159.188 g/mol | RDKit | |
| Canonical SMILES | OC1=CC(=NC=2C=CC=CC12)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=NWINIEGDLHHNLH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 234 °C | CAS Common Chemistry |
| Name | 4-Hydroxy-2-methylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.86 Ų | RDKit |
| LogP | 1.8365199999999997 | RDKit |
| 1.8365 | RDKit | |
| Molar Refractivity | 49.305700000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 159.068413908 g/mol | RDKit |
| Boiling Point | 152-153 °C @ 1.2 Torr | CAS Common Chemistry |
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 = 159.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H9NO.
