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4-(2-Methoxyethyl)Phenol
CAS: 56718-71-9 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56718-71-9
Molecular Formula:
C9H12O2
Molecular Mass:
152.19 g/mol
Names and Synonyms:
4-(2-Methoxyethyl)Phenol
Phenol, 4-(2-methoxyethyl)-
Phenol, p-(2-methoxyethyl)-
4-(2-Methoxyethyl)phenol
p-(2-Methoxyethyl)phenol
p-Hydroxyphenethyl methyl ether
Identifiers:
SMILES:
COCCc1ccc(O)cc1
InChI:
InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3
Key Properties
Boiling Point
142 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
42-43 °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 |
| 152.19299999999998 g/mol | RDKit | |
| 152.083729624 g/mol | RDKit | |
| Melting Point | 42-43 °C | CAS Common Chemistry |
| Boiling Point | 142 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CCOC | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FAYGEALAEQKPDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(2-Methoxyethyl)phenol | 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 | 1.5811 | RDKit |
| Molar Refractivity | 43.68680000000003 | RDKit |
