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Molecule
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
Identifiers
CAS Registry Number
1142-15-0
SMILES
COc1ccc(C=Cc2ccccc2)cc1
InChI Key
XWYXLYCDZKRCAD-UHFFFAOYSA-N
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
Names and Synonyms
- 4-Methoxystilbene Synonym
- Benzene, 1-methoxy-4-(2-phenylethenyl)- Synonym
- Anisole, p-styryl- Synonym
- Stilbene, 4-methoxy- Synonym
- 1-Methoxy-4-(2-phenylethenyl)benzene Synonym
- 4-Methoxystilbene Synonym
- p-Methoxystilbene Synonym
- NSC 2139 Synonym
- 1-(p-Methoxyphenyl)-2-phenylethene Synonym
- 1-(4-Methoxyphenyl)-2-phenylethene Synonym
- 1-(p-Methoxy)phenyl-2-phenylethylene Synonym
- 1-Methoxy-4-styrylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| 210.276 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 |
| 3.8656 | RDKit | |
| Molar Refractivity | 68.36400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 210.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 210.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O.
