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Molecule
(R,R)-Hydrobenzoin
CAS: 52340-78-0 · C14H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52340-78-0
- Molecular Formula
- C14H14O2
- Molecular Mass
- 214.26 g/mol
Identifiers
CAS Registry Number
52340-78-0
SMILES
O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChI Key
IHPDTPWNFBQHEB-ZIAGYGMSSA-N
InChI
InChI=1S/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-/m1/s1
Names and Synonyms
- (R,R)-Hydrobenzoin Systematic Name
- 1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)- Synonym
- 1,2-Ethanediol, 1,2-diphenyl-, [R-(R*,R*)]- Synonym
- (1R,2R)-1,2-Diphenyl-1,2-ethanediol Synonym
- (R,R)-(+)-1,2-Diphenyl-1,2-ethanediol Synonym
- Isohydrobenzoin, (+)- Synonym
- Hydrobenzoin, (+)- Synonym
- (+)-1,2-Diphenyl-1,2-ethanediol Synonym
- (R,R)-Hydrobenzoin Synonym
- (R,R)-Stilbenediol Synonym
- (R,R)-1,2-Diphenyl-1,2-ethanediol Synonym
- (+)-Hydrobenzoin Synonym
- (R,R)-(+)-Stilbenediol Synonym
- (+)-(R,R)-Hydrobenzoin Synonym
- (R,R)-(+)-Hydrobenzoin Synonym
- (1R,2R)-1,2-Diphenylethanediol Synonym
- (+)-Dihydrobenzoin Synonym
- (R,R)-Hydrobenzoin 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=1S/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-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IHPDTPWNFBQHEB-ZIAGYGMSSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | (R,R)-Hydrobenzoin | 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...
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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| 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.
