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2-(2-Methoxyphenyl)Ethanol
CAS: 7417-18-7 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7417-18-7
Molecular Formula:
C9H12O2
Molecular Weight:
152.19299999999998 g/mol
Names and Synonyms:
2-(2-Methoxyphenyl)Ethanol
Benzeneethanol, 2-methoxy-
Phenethyl alcohol, o-methoxy-
2-Methoxybenzeneethanol
2-Methoxyphenethyl alcohol
2-(2-Methoxyphenyl)ethanol
2-(o-Methoxyphenyl)ethanol
2-(2-Methoxyphenyl)-1-ethanol
NSC 101847
2-(2-Methoxyphenyl)ethyl alcohol
Identifiers:
SMILES:
COc1ccccc1CCO
InChI:
InChI=1S/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 152.19299999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.083729624 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.46 Ų | RDKit |
| Physical Properties | LogP | 1.23 | RDKit |
| molecular_mass | 152.19 g/mol | Legacy Database | |
| density | 1.09 g/cm³ | Legacy Database | |
| cas-boiling-point | 130-131 °C @ Press: 11 Torr | Legacy Database | |
| cas-canonical-smile | OCCC=1C=CC=CC1OC | Legacy Database | |
| cas-density | 1.0939 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=XLDRDNQLEMMNNH-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 2-(2-Methoxyphenyl)ethanol | Legacy Database | |
| Molar | Molar Refractivity | 43.78380000000002 | RDKit |
