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Molecule
4-Phenoxystyrene
CAS: 4973-29-9 · C14H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4973-29-9
- Molecular Formula
- C14H12O
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
4973-29-9
SMILES
C=Cc1ccc(Oc2ccccc2)cc1
InChI Key
UULPGUKSBAXNJN-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
Names and Synonyms
- 4-Phenoxystyrene Systematic Name
- Benzene, 1-ethenyl-4-phenoxy- Synonym
- Ether, phenyl p-vinylphenyl Synonym
- 1-Ethenyl-4-phenoxybenzene Synonym
- (4-Vinylphenoxy)benzene Synonym
- 4-Vinyldiphenyl ether Synonym
- 4-Phenoxystyrene Synonym
- p-Phenoxyphenylethylene Synonym
- p-Phenoxystyrene Synonym
- 4-Phenoxyphenylethylene Synonym
- NSC 158435 Synonym
- 1-Phenoxy-4-vinylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.25 g/mol | CAS Common Chemistry |
| 196.24900000000002 g/mol | RDKit | |
| 196.249 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.060 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(C=1C=CC=CC1)C2=CC=C(C=C)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UULPGUKSBAXNJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Phenoxystyrene | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 4.121900000000003 | RDKit |
| 4.1219 | RDKit | |
| Molar Refractivity | 63.049000000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 196.088815004 g/mol | RDKit |
| Boiling Point | 110-112 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 196.25 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O.
