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Molecule
2-Methyl-8-Hydroxyquinoline
CAS: 826-81-3 · C10H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 826-81-3
- Molecular Formula
- C10H9NO
- Molecular Mass
- 159.19 g/mol
Identifiers
CAS Registry Number
826-81-3
SMILES
Cc1ccc2cccc(O)c2n1
InChI Key
NBYLBWHHTUWMER-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
Names and Synonyms
- 2-Methyl-8-Hydroxyquinoline Synonym
- 8-Quinolinol, 2-methyl- Synonym
- 2-Methyl-8-quinolinol Synonym
- 8-Hydroxyquinaldine Synonym
- 2-Methyl-8-hydroxyquinoline Synonym
- 8-Hydroxy-2-methylquinoline Synonym
- 2-Methyloxine Synonym
- Hydroxyquinaldine Synonym
- NSC 403349 Synonym
- NSC 58553 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 | |
| Boiling Point | 267 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC2=CC=C(N=C12)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NBYLBWHHTUWMER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73.8 °C | CAS Common Chemistry |
| Name | 2-Methyl-8-hydroxyquinoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 2.2488200000000007 | RDKit |
| 2.2488 | RDKit | |
| Molar Refractivity | 48.144800000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 159.068413908 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
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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.
