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Molecule
Trans-4-Hydroxystilbene
CAS: 6554-98-9 · C14H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6554-98-9
- Molecular Formula
- C14H12O
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
6554-98-9
SMILES
Oc1ccc(/C=C/c2ccccc2)cc1
InChI Key
QVLMUEOXQBUPAH-VOTSOKGWSA-N
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+
Names and Synonyms
- Trans-4-Hydroxystilbene Synonym
- Phenol, 4-[(1E)-2-phenylethenyl]- Synonym
- 4-Stilbenol, (E)- Synonym
- Phenol, 4-(2-phenylethenyl)-, (E)- Synonym
- 4-[(1E)-2-Phenylethenyl]phenol Synonym
- trans-4-Hydroxystilbene Synonym
- trans-4-Stilbenol Synonym
- trans-p-Hydroxystilbene Synonym
- 4-Hydroxy-trans-stilbene Synonym
- (E)-4-Hydroxystilbene Synonym
- (E)-1-(4-Hydroxyphenyl)-2-phenylethene Synonym
- (E)-4-Hydroxystilbene Synonym
- (E)-4-Styrylphenol 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 | |
| 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 |
| 3.5626 | RDKit | |
| Molar Refractivity | 63.47680000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 196.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 196.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O.
