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Molecule
4-Ethenyl-1,1′-Biphenyl
CAS: 2350-89-2 · C14H12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2350-89-2
- Molecular Formula
- C14H12
- Molecular Mass
- 180.25 g/mol
Identifiers
CAS Registry Number
2350-89-2
SMILES
C=Cc1ccc(-c2ccccc2)cc1
InChI Key
HDBWAWNLGGMZRQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2
Names and Synonyms
- 4-Ethenyl-1,1′-Biphenyl Systematic Name
- 1,1′-Biphenyl, 4-ethenyl- Synonym
- Biphenyl, 4-vinyl- Synonym
- 4-Ethenyl-1,1′-biphenyl Synonym
- 4-Vinylbiphenyl Synonym
- 4-Phenylstyrene Synonym
- 4-Vinyldiphenyl Synonym
- p-Phenylstyrene Synonym
- p-Vinylbiphenyl Synonym
- 4-Ethenylbiphenyl Synonym
- NSC 58060 Synonym
- 4-Vinyl-1,1′-biphenyl Synonym
- (Biphenyl-4-yl)ethene Synonym
- 1-Ethenyl-4-phenylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.25 g/mol | CAS Common Chemistry |
| Canonical SMILES | C=CC=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HDBWAWNLGGMZRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | 4-Ethenyl-1,1′-biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9966000000000026 | RDKit |
| 3.9966 | RDKit | |
| Molar Refractivity | 61.96900000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 180.093900384 g/mol | RDKit |
| Boiling Point | 136-138 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 180.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12.
