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Molecule
(S)-1-(4-Methoxyphenyl)Ethanol
CAS: 1572-97-0 · C9H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1572-97-0
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
1572-97-0
SMILES
COc1ccc([C@H](C)O)cc1
InChI Key
IUUULXXWNYKJSL-ZETCQYMHSA-N
InChI
InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1
Names and Synonyms
- (S)-1-(4-Methoxyphenyl)Ethanol Synonym
- Benzenemethanol, 4-methoxy-α-methyl-, (αS)- Synonym
- Benzenemethanol, 4-methoxy-α-methyl-, (S)- Synonym
- (αS)-4-Methoxy-α-methylbenzenemethanol Synonym
- (S)-1-(4-Methoxyphenyl)ethanol Synonym
- (S)-1-(p-Methoxyphenyl)ethanol Synonym
- (S)-4-Methoxy-α-methylbenzyl alcohol Synonym
- (S)-(-)-1-(p-Methoxyphenyl)ethanol Synonym
- (-)-1-(p-Methoxyphenyl)ethanol Synonym
- (1S)-1-(4-Methoxyphenyl)ethanol Synonym
- (S)-1-(4-Methoxyphenyl)-1-ethanol Synonym
- (-)-1-(4-Methoxyphenyl)ethanol Synonym
- (1S)-1-(4-Methoxyphenyl)ethan-1-ol Synonym
- (1S)-1-(4-Methoxyphenyl)ethanol 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 | |
| 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/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IUUULXXWNYKJSL-ZETCQYMHSA-N | CAS Common Chemistry |
| Name | (S)-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 |
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.
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MW = 152.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
