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2-Hydroxy-4-Methylquinoline
CAS: 607-66-9 | C10H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
607-66-9
Molecular Formula:
C10H9NO
Molecular Mass:
159.19 g/mol
Names and Synonyms:
2-Hydroxy-4-Methylquinoline
2(1H)-Quinolinone, 4-methyl-
Carbostyril, 4-methyl-
4-Methyl-2(1H)-quinolinone
2(1H)-Lepidinone
2-Lepidinol
4-Methylcarbostyril
4-Methyl-2-quinolone
4-Methylquinolin-2-one
2-Hydroxylepidine
4-Methyl-1,2-dihydroquinolin-2-one
4-Methyl-2(1H)-quinolone
2-Hydroxy-4-methylquinoline
4-Methyl-2-quinolinol
NSC 2057
Identifiers:
SMILES:
Cc1cc(O)nc2ccccc12
InChI:
InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
Key Properties
Melting Point
222-223 °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 | 159.19 g/mol | CAS Common Chemistry |
| 159.188 g/mol | RDKit | |
| 159.068413908 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 |
| LogP | 2.2488200000000003 | RDKit |
| Molar Refractivity | 48.144800000000025 | RDKit |
