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Rel-(1R,2S)-1,2-Diphenyl-1,2-Ethanediol
CAS: 579-43-1 | C14H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
579-43-1
Molecular Formula:
C14H14O2
Molecular Mass:
214.26 g/mol
Names and Synonyms:
Rel-(1R,2S)-1,2-Diphenyl-1,2-Ethanediol
1,2-Ethanediol, 1,2-diphenyl-, (1R,2S)-rel-
1,2-Ethanediol, 1,2-diphenyl-, meso-
1,2-Ethanediol, 1,2-diphenyl-, (R*,S*)-
rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol
meso-1,2-Diphenylethylene glycol
meso-Hydrobenzoin
meso-1,2-Diphenyl-1,2-ethanediol
meso-Stilbene glycol
Hydrobenzoin, meso-
erythro-1,2-Diphenylethane-1,2-diol
erythro-Hydrobenzoin
NSC 133570
cis-1,2-Diphenyl-1,2-ethanediol
(R,S)-Dihydrobenzoin
(1R,2S)-1,2-Diphenyl-1,2-ethanediol
trans-1,2-Diphenylethane-1,2-diol
Identifiers:
SMILES:
O[C@H](c1ccccc1)[C@@H](O)c1ccccc1
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+
Key Properties
Melting Point
138 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.26 g/mol | CAS Common Chemistry |
| 214.264 g/mol | RDKit | |
| 214.099379688 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 |
| Molar Refractivity | 62.80360000000004 | RDKit |
