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4-Vinylphenol
CAS: 2628-17-3 | C8H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2628-17-3
Molecular Formula:
C8H8O
Molecular Weight:
120.15099999999997 g/mol
Names and Synonyms:
4-Vinylphenol
Phenol, 4-ethenyl-
Phenol, p-vinyl-
4-Ethenylphenol
4-Hydroxystyrene
p-Hydroxystyrene
p-Vinylphenol
4-Vinylphenol
Identifiers:
SMILES:
C=Cc1ccc(O)cc1
InChI:
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
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 | 120.15099999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.0351999999999997 | RDKit |
| molecular_mass | 120.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/4-Vinylphenol None | Legacy Database |
| cas-boiling-point | 145-152 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=FUGYGGDSWSUORM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 73.5 °C None | Legacy Database |
| cas-name | 4-Vinylphenol None | Legacy Database |
| wikipedia-name | 4-Vinylphenol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.197800000000015 | RDKit |
