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4-Methoxystilbene
CAS: 1142-15-0 | C15H14O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1142-15-0
Molecular Formula:
C15H14O
Molecular Mass:
210.28 g/mol
Names and Synonyms:
4-Methoxystilbene
Benzene, 1-methoxy-4-(2-phenylethenyl)-
Anisole, p-styryl-
Stilbene, 4-methoxy-
1-Methoxy-4-(2-phenylethenyl)benzene
4-Methoxystilbene
p-Methoxystilbene
NSC 2139
1-(p-Methoxyphenyl)-2-phenylethene
1-(4-Methoxyphenyl)-2-phenylethene
1-(p-Methoxy)phenyl-2-phenylethylene
1-Methoxy-4-styrylbenzene
Identifiers:
SMILES:
COc1ccc(C=Cc2ccccc2)cc1
InChI:
InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3
Key Properties
Melting Point
132 °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 | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| 210.104465068 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(C=C1)C=CC=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XWYXLYCDZKRCAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132 °C | CAS Common Chemistry |
| Name | 4-Methoxystilbene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.8656000000000024 | RDKit |
| Molar Refractivity | 68.36400000000003 | RDKit |
