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2-(4-Methoxyphenyl)Ethanol
CAS: 702-23-8 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
702-23-8
Molecular Formula:
C9H12O2
Molecular Weight:
152.193 g/mol
Names and Synonyms:
2-(4-Methoxyphenyl)Ethanol
4-Methoxyphenethanol
NSC 408325
1-Methoxy-4-(2-hydroxyethyl)benzene
2-(4-Methoxyphenyl)-1-ethanol
p-(Methoxyphenyl)ethyl alcohol
4-Methoxyphenethyl alcohol
2-(4-Methoxyphenyl)ethanol
2-(p-Anisyl)ethanol
2-(p-Methoxyphenyl)ethanol
β-(p-Methoxyphenyl)ethanol
p-Methoxyphenethyl alcohol
4-Methoxybenzeneethanol
Phenethyl alcohol, p-methoxy-
Benzeneethanol, 4-methoxy-
Identifiers:
SMILES:
COc1ccc(CCO)cc1
InChI:
InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)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 |
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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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.19 g/mol | Legacy Database |
| cas-boiling-point | 121 °C @ Press: 5 Torr | Legacy Database | |
| cas-canonical-smile | OCCC1=CC=C(OC)C=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=AUWDOZOUJWEPBA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 28 °C | Legacy Database | |
| cas-name | 2-(4-Methoxyphenyl)ethanol | Legacy Database | |
| LogP | 1.23 | RDKit | |
| Molecular | Molecular Weight | 152.193 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 |
| Molar | Molar Refractivity | 43.78380000000002 | RDKit |
