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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 Mass:
120.15 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
Key Properties
Boiling Point
145-152 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
73.5 °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 | 120.15 g/mol | CAS Common Chemistry |
| 120.15099999999997 g/mol | RDKit | |
| 120.057514876 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Vinylphenol | CAS Common Chemistry |
| Boiling Point | 145-152 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FUGYGGDSWSUORM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73.5 °C | CAS Common Chemistry |
| Name | 4-Vinylphenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.0351999999999997 | RDKit |
| Molar Refractivity | 38.197800000000015 | RDKit |
