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Molecule
1-(4-Methoxyphenyl)Ethanol
CAS: 3319-15-1 · C9H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3319-15-1
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
3319-15-1
SMILES
COc1ccc(C(C)O)cc1
InChI Key
IUUULXXWNYKJSL-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
Names and Synonyms
- 1-(4-Methoxyphenyl)Ethanol Systematic Name
- Benzenemethanol, 4-methoxy-α-methyl- Synonym
- Benzyl alcohol, p-methoxy-α-methyl- Synonym
- p-Anisyl alcohol, α-methyl- Synonym
- 4-Methoxy-α-methylbenzenemethanol Synonym
- 1-(4-Methoxyphenyl)ethanol Synonym
- 1-Hydroxyethyl-4-methoxybenzene Synonym
- α-Methyl-4-methoxybenzyl alcohol Synonym
- p-Methoxy-α-methylbenzyl alcohol Synonym
- 1-(p-Anisyl)ethanol Synonym
- (4-Methoxyphenyl)methylcarbinol Synonym
- p-Methoxyphenyl methyl carbinol Synonym
- p-Methoxy-α-phenylethanol Synonym
- 1-(p-Methoxyphenyl)ethanol Synonym
- (±)-1-(4-Methoxyphenyl)-1-ethanol Synonym
- 1-(4-Methoxyphenyl)ethan-1-ol Synonym
- 4-Methoxy-α-methylbenzyl alcohol Synonym
- (±)-1-(4-Methoxyphenyl)ethanol Synonym
- NSC 406712 Synonym
- (±)-1-(p-Methoxyphenyl)ethanol Synonym
- α-Methyl-4-methoxybenzenemethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999998 g/mol | RDKit | |
| 152.193 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0953 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Canonical SMILES | OC(C1=CC=C(OC)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IUUULXXWNYKJSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Methoxyphenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.7485 | RDKit |
| 1.86 | chempirical lib | |
| Molar Refractivity | 43.62780000000002 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 | 142-143 °C @ 23 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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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.
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MW = 152.19 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
