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Trans-4-Hydroxystilbene
CAS: 6554-98-9 | C14H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6554-98-9
Molecular Formula:
C14H12O
Molecular Mass:
196.25 g/mol
Names and Synonyms:
Trans-4-Hydroxystilbene
Phenol, 4-[(1E)-2-phenylethenyl]-
4-Stilbenol, (E)-
Phenol, 4-(2-phenylethenyl)-, (E)-
4-[(1E)-2-Phenylethenyl]phenol
trans-4-Hydroxystilbene
trans-4-Stilbenol
trans-p-Hydroxystilbene
4-Hydroxy-trans-stilbene
(E)-4-Hydroxystilbene
(E)-1-(4-Hydroxyphenyl)-2-phenylethene
(E)-4-Hydroxystilbene
(E)-4-Styrylphenol
Identifiers:
SMILES:
Oc1ccc(/C=C/c2ccccc2)cc1
InChI:
InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6+
Key Properties
Melting Point
189 °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 | 196.25 g/mol | CAS Common Chemistry |
| 196.24900000000002 g/mol | RDKit | |
| 196.088815004 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=QVLMUEOXQBUPAH-VOTSOKGWSA-N | CAS Common Chemistry |
| Melting Point | 189 °C | CAS Common Chemistry |
| Name | trans-4-Hydroxystilbene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.5626000000000024 | RDKit |
| Molar Refractivity | 63.47680000000003 | RDKit |
