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Molecule
4,4′-Diphenoxybenzophenone
CAS: 14984-21-5 · C25H18O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14984-21-5
- Molecular Formula
- C25H18O3
- Molecular Mass
- 366.42 g/mol
Identifiers
CAS Registry Number
14984-21-5
SMILES
O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChI Key
BSILAEQTGTZMIW-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Diphenoxybenzophenone Systematic Name
- Methanone, bis(4-phenoxyphenyl)- Synonym
- Benzophenone, 4,4′-diphenoxy- Synonym
- Bis(4-phenoxyphenyl)methanone Synonym
- 4,4′-Diphenoxybenzophenone Synonym
- DPB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.42 g/mol | CAS Common Chemistry |
| 366.4160000000001 g/mol | RDKit | |
| 366.416 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 |
| 6.5022 | RDKit | |
| Molar Refractivity | 109.34850000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 366.125594436 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.
External Resources
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MW = 366.42 g/mol. Edit any field — others recompute live.
