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Molecule
2-Hydroxy-4-Methylquinoline
CAS: 607-66-9 · C10H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 607-66-9
- Molecular Formula
- C10H9NO
- Molecular Mass
- 159.19 g/mol
Identifiers
CAS Registry Number
607-66-9
SMILES
Cc1cc(O)nc2ccccc12
InChI Key
APLVPBUBDFWWAD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
Names and Synonyms
- 2-Hydroxy-4-Methylquinoline Systematic Name
- 2(1H)-Quinolinone, 4-methyl- Synonym
- Carbostyril, 4-methyl- Synonym
- 4-Methyl-2(1H)-quinolinone Synonym
- 2(1H)-Lepidinone Synonym
- 2-Lepidinol Synonym
- 4-Methylcarbostyril Synonym
- 4-Methyl-2-quinolone Synonym
- 4-Methylquinolin-2-one Synonym
- 2-Hydroxylepidine Synonym
- 4-Methyl-1,2-dihydroquinolin-2-one Synonym
- 4-Methyl-2(1H)-quinolone Synonym
- 2-Hydroxy-4-methylquinoline Synonym
- 4-Methyl-2-quinolinol Synonym
- NSC 2057 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 | O=C1C=C(C=2C=CC=CC2N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=APLVPBUBDFWWAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222-223 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-4-methylquinoline | 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 | 2.2488200000000003 | 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
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1
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200 ppm
180
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| 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.
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.
