Back to Search
Molecule
2-(Quinolin-2-Yl)Ethanol
CAS: 1011-50-3 · C11H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1011-50-3
- Molecular Formula
- C11H11NO
- Molecular Mass
- 173.22 g/mol
Identifiers
CAS Registry Number
1011-50-3
SMILES
OCCc1ccc2ccccc2n1
InChI Key
VPDAGUVEZGEHJJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2
Names and Synonyms
- 2-(Quinolin-2-Yl)Ethanol Systematic Name
- 2-Quinolineethanol Synonym
- 2-(2-Hydroxyethyl)quinoline Synonym
- NSC 409400 Synonym
- 2-(Quinolin-2-yl)ethanol Synonym
- 2-(Quinolin-2-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.22 g/mol | CAS Common Chemistry |
| 173.21499999999997 g/mol | RDKit | |
| 173.215 g/mol | RDKit | |
| Canonical SMILES | OCCC1=NC=2C=CC=CC2C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VPDAGUVEZGEHJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | 2-(Quinolin-2-yl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 1.7695999999999998 | RDKit |
| 1.7696 | RDKit | |
| 1.67 | chempirical lib | |
| Molar Refractivity | 52.53280000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 173.084063972 g/mol | RDKit |
| Boiling Point | 140-160 °C @ 0.5 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
Convert
Quick conversion
MW = 173.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H11NO.
