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Benzopinacol
CAS: 464-72-2 | C26H22O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
464-72-2
Molecular Formula:
C26H22O2
Molecular Mass:
366.46 g/mol
Names and Synonyms:
Benzopinacol
1,2-Ethanediol, 1,1,2,2-tetraphenyl-
Benzopinacol
1,1,2,2-Tetraphenyl-1,2-ethanediol
Benzopinacone
Benzpinacone
α,α′-Bibenzhydrol
Tetraphenylethylene glycol
Benzpinacol
Tetraphenyl-1,2-ethanediol
Benzophenone pinacol
1,1,2,2-Tetraphenylethylene glycol
NSC 120377
NSC 1973
1,1,2,2-Tetraphenyl-1,2-ethandiol
Identifiers:
SMILES:
OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
Key Properties
Melting Point
182 °C
CAS Common Chemistry
Density
1.24 g/cm³
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 | 366.46 g/mol | CAS Common Chemistry |
| 366.46000000000004 g/mol | RDKit | |
| 366.161979944 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.24 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OC(C=1C=CC=CC1)(C=2C=CC=CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H | CAS Common Chemistry |
| InChI Key | InChIKey=MFEWNFVBWPABCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182 °C | CAS Common Chemistry |
| Name | Benzopinacol | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.8586000000000045 | RDKit |
| Molar Refractivity | 111.7656 | RDKit |
