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4,4′-Diphenoxybenzophenone
CAS: 14984-21-5 | C25H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14984-21-5
Molecular Formula:
C25H18O3
Molecular Mass:
366.42 g/mol
Names and Synonyms:
4,4′-Diphenoxybenzophenone
Methanone, bis(4-phenoxyphenyl)-
Benzophenone, 4,4′-diphenoxy-
Bis(4-phenoxyphenyl)methanone
4,4′-Diphenoxybenzophenone
DPB
Identifiers:
SMILES:
O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChI:
InChI=1S/C25H18O3/c26-25(19-11-15-23(16-12-19)27-21-7-3-1-4-8-21)20-13-17-24(18-14-20)28-22-9-5-2-6-10-22/h1-18H
Key Properties
Melting Point
147 °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 | 366.42 g/mol | CAS Common Chemistry |
| 366.4160000000001 g/mol | RDKit | |
| 366.125594436 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(OC=2C=CC=CC2)C=C1)C3=CC=C(OC=4C=CC=CC4)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C25H18O3/c26-25(19-11-15-23(16-12-19)27-21-7-3-1-4-8-21)20-13-17-24(18-14-20)28-22-9-5-2-6-10-22/h1-18H | CAS Common Chemistry |
| InChI Key | InChIKey=BSILAEQTGTZMIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147 °C | CAS Common Chemistry |
| Name | 4,4′-Diphenoxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 6.502200000000004 | RDKit |
| Molar Refractivity | 109.34850000000002 | RDKit |
