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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 Mass:
138.17 g/mol
Names and Synonyms:
Anisyl Alcohol
4-(Hydroxymethyl)anisole
p-(Methoxyphenyl)methanol
(4-Methoxyphenyl)methyl alcohol
p-Anisalcohol
4-Methoxy-α-hydroxytoluene
NSC 2151
[4-(Methyloxy)phenyl]methanol
Benzenemethanol, 4-methoxy-
Benzyl alcohol, p-methoxy-
4-Methoxybenzenemethanol
Anise alcohol
4-Methoxybenzyl alcohol
p-Methoxybenzyl alcohol
Anisic alcohol
p-Anisyl alcohol
4-(Methoxyphenyl)methanol
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
Key Properties
Boiling Point
259.1 °C
CAS Common Chemistry
Melting Point
25 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.166 g/mol | RDKit | |
| 138.06807956 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anisyl_alcohol | CAS Common Chemistry |
| Boiling Point | 259.1 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MSHFRERJPWKJFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25 °C | CAS Common Chemistry |
| Name | 4-Methoxybenzyl alcohol | CAS Common Chemistry |
| Anisyl alcohol | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | 1.1874999999999998 | RDKit |
| Molar Refractivity | 38.91680000000001 | RDKit |
