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Molecule
2-(4-Methoxyphenyl)Ethanol
CAS: 702-23-8 · C9H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 702-23-8
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
702-23-8
SMILES
COc1ccc(CCO)cc1
InChI Key
AUWDOZOUJWEPBA-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
Names and Synonyms
- 2-(4-Methoxyphenyl)Ethanol Systematic Name
- Benzeneethanol, 4-methoxy- Synonym
- Phenethyl alcohol, p-methoxy- Synonym
- 4-Methoxybenzeneethanol Synonym
- p-Methoxyphenethyl alcohol Synonym
- β-(p-Methoxyphenyl)ethanol Synonym
- 2-(p-Methoxyphenyl)ethanol Synonym
- 2-(p-Anisyl)ethanol Synonym
- 2-(4-Methoxyphenyl)ethanol Synonym
- 4-Methoxyphenethyl alcohol Synonym
- p-(Methoxyphenyl)ethyl alcohol Synonym
- 2-(4-Methoxyphenyl)-1-ethanol Synonym
- 1-Methoxy-4-(2-hydroxyethyl)benzene Synonym
- NSC 408325 Synonym
- 4-Methoxyphenethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.19 g/mol | CAS Common Chemistry |
| 152.193 g/mol | RDKit | |
| Canonical SMILES | OCCC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AUWDOZOUJWEPBA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | 2-(4-Methoxyphenyl)ethanol | 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 | 1.23 | RDKit |
| Molar Refractivity | 43.78380000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 152.083729624 g/mol | RDKit |
| Boiling Point | 121 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 152.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
