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(S)-1-(4-Methoxyphenyl)Ethanol
CAS: 1572-97-0 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1572-97-0
Molecular Formula:
C9H12O2
Molecular Weight:
152.19299999999998 g/mol
Names and Synonyms:
(S)-1-(4-Methoxyphenyl)Ethanol
Benzenemethanol, 4-methoxy-α-methyl-, (αS)-
Benzenemethanol, 4-methoxy-α-methyl-, (S)-
(αS)-4-Methoxy-α-methylbenzenemethanol
(S)-1-(4-Methoxyphenyl)ethanol
(S)-1-(p-Methoxyphenyl)ethanol
(S)-4-Methoxy-α-methylbenzyl alcohol
(S)-(-)-1-(p-Methoxyphenyl)ethanol
(-)-1-(p-Methoxyphenyl)ethanol
(1S)-1-(4-Methoxyphenyl)ethanol
(S)-1-(4-Methoxyphenyl)-1-ethanol
(-)-1-(4-Methoxyphenyl)ethanol
(1S)-1-(4-Methoxyphenyl)ethan-1-ol
(1S)-1-(4-Methoxyphenyl)ethanol
Identifiers:
SMILES:
COc1ccc([C@H](C)O)cc1
InChI:
InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1
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 |
|---|---|---|---|
| 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 | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.46 Ų | RDKit |
| Physical Properties | LogP | 1.7485 | RDKit |
| molecular_mass | 152.19 g/mol | Legacy Database | |
| cas-canonical-smile | OC(C1=CC=C(OC)C=C1)C | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=IUUULXXWNYKJSL-ZETCQYMHSA-N | Legacy Database | |
| cas-name | (S)-1-(4-Methoxyphenyl)ethanol | Legacy Database | |
| Molar | Molar Refractivity | 43.62780000000002 | RDKit |
