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Molecule
Rel-(1R,2S)-1,2-Diphenyl-1,2-Ethanediol
CAS: 579-43-1 · C14H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 579-43-1
- Molecular Formula
- C14H14O2
- Molecular Mass
- 214.26 g/mol
Identifiers
CAS Registry Number
579-43-1
SMILES
O[C@H](c1ccccc1)[C@@H](O)c1ccccc1
InChI Key
IHPDTPWNFBQHEB-OKILXGFUNA-N
InChI
InChI=1/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14+
Names and Synonyms
- Rel-(1R,2S)-1,2-Diphenyl-1,2-Ethanediol Systematic Name
- 1,2-Ethanediol, 1,2-diphenyl-, (1R,2S)-rel- Synonym
- 1,2-Ethanediol, 1,2-diphenyl-, meso- Synonym
- 1,2-Ethanediol, 1,2-diphenyl-, (R*,S*)- Synonym
- rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol Synonym
- meso-1,2-Diphenylethylene glycol Synonym
- meso-Hydrobenzoin Synonym
- meso-1,2-Diphenyl-1,2-ethanediol Synonym
- meso-Stilbene glycol Synonym
- Hydrobenzoin, meso- Synonym
- erythro-1,2-Diphenylethane-1,2-diol Synonym
- erythro-Hydrobenzoin Synonym
- NSC 133570 Synonym
- cis-1,2-Diphenyl-1,2-ethanediol Synonym
- (R,S)-Dihydrobenzoin Synonym
- (1R,2S)-1,2-Diphenyl-1,2-ethanediol Synonym
- trans-1,2-Diphenylethane-1,2-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.26 g/mol | CAS Common Chemistry |
| 214.264 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)C(O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14+ | CAS Common Chemistry |
| InChI Key | InChIKey=IHPDTPWNFBQHEB-OKILXGFUNA-N | CAS Common Chemistry |
| Melting Point | 138 °C | CAS Common Chemistry |
| Name | rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 2.4536 | RDKit |
| 2.49 | chempirical lib | |
| Molar Refractivity | 62.80360000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 214.099379688 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.
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MW = 214.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O2.
