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Anisyl Alcohol
CAS: 105-13-5 | C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-13-5
Molecular Formula:
C8H10O2
Molecular Weight:
138.166 g/mol
Names and Synonyms:
Anisyl Alcohol
4-(Methoxyphenyl)methanol
p-Anisyl alcohol
Anisic alcohol
p-Methoxybenzyl alcohol
4-Methoxybenzyl alcohol
Anise alcohol
4-Methoxybenzenemethanol
Benzyl alcohol, p-methoxy-
Benzenemethanol, 4-methoxy-
[4-(Methyloxy)phenyl]methanol
NSC 2151
4-Methoxy-α-hydroxytoluene
p-Anisalcohol
(4-Methoxyphenyl)methyl alcohol
p-(Methoxyphenyl)methanol
4-(Hydroxymethyl)anisole
Identifiers:
SMILES:
COc1ccc(CO)cc1
InChI:
InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
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 |
|---|
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.166 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1874999999999998 | RDKit |
| molecular_mass | 138.17 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Anisyl_alcohol None | Legacy Database |
| cas-boiling-point | 259.1 °C None | Legacy Database |
| cas-canonical-smile | OCC1=CC=C(OC)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MSHFRERJPWKJFX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 25 °C None | Legacy Database |
| cas-name | 4-Methoxybenzyl alcohol None | Legacy Database |
| wikipedia-name | Anisyl alcohol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.91680000000001 | RDKit |
