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Molecule
4-Phenoxybenzophenone
CAS: 6317-73-3 · C19H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6317-73-3
- Molecular Formula
- C19H14O2
- Molecular Mass
- 274.32 g/mol
Identifiers
CAS Registry Number
6317-73-3
SMILES
O=C(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChI Key
ITVUPWDTDWMACZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H14O2/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h1-14H
Names and Synonyms
- 4-Phenoxybenzophenone Systematic Name
- Methanone, (4-phenoxyphenyl)phenyl- Synonym
- Benzophenone, 4-phenoxy- Synonym
- (4-Phenoxyphenyl)phenylmethanone Synonym
- 4-Phenoxybenzophenone Synonym
- p-Phenoxybenzophenone Synonym
- p-Phenoxybenzophenone Synonym
- NSC 43083 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.32 g/mol | CAS Common Chemistry |
| 274.319 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(OC=3C=CC=CC3)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H14O2/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=ITVUPWDTDWMACZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66 °C | CAS Common Chemistry |
| Name | 4-Phenoxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.709900000000004 | RDKit |
| 4.7099 | RDKit | |
| Molar Refractivity | 82.83250000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 274.099379688 g/mol | RDKit |
| Boiling Point | 192-200 °C @ 0.4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 274.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H14O2.
