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2-Ethoxybenzenemethanol
CAS: 71672-75-8 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71672-75-8
Molecular Formula:
C9H12O2
Molecular Mass:
152.19 g/mol
Names and Synonyms:
2-Ethoxybenzenemethanol
Benzenemethanol, 2-ethoxy-
Benzyl alcohol, o-ethoxy-
2-Ethoxybenzenemethanol
o-Ethoxybenzyl alcohol
2-Ethoxybenzyl alcohol
(2-Ethoxyphenyl)methanol
Identifiers:
SMILES:
CCOc1ccccc1CO
InChI:
InChI=1S/C9H12O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,10H,2,7H2,1H3
Key Properties
Melting Point
31-32 °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 | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999996 g/mol | RDKit | |
| 152.083729624 g/mol | RDKit | |
| Canonical SMILES | OCC=1C=CC=CC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,10H,2,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ICJVQAHPHKYCNU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 31-32 °C | CAS Common Chemistry |
| Name | 2-Ethoxybenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.5776 | RDKit |
| Molar Refractivity | 43.53380000000002 | RDKit |
