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4-Phenoxybenzophenone
CAS: 6317-73-3 | C19H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6317-73-3
Molecular Formula:
C19H14O2
Molecular Mass:
274.32 g/mol
Names and Synonyms:
4-Phenoxybenzophenone
Methanone, (4-phenoxyphenyl)phenyl-
Benzophenone, 4-phenoxy-
(4-Phenoxyphenyl)phenylmethanone
4-Phenoxybenzophenone
p-Phenoxybenzophenone
p-Phenoxybenzophenone
NSC 43083
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccc(Oc2ccccc2)cc1
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
Key Properties
Boiling Point
192-200 °C @ Press: 0.4 Torr
CAS Common Chemistry
Melting Point
66 °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 | 274.32 g/mol | CAS Common Chemistry |
| 274.319 g/mol | RDKit | |
| 274.099379688 g/mol | RDKit | |
| Boiling Point | 192-200 °C @ Press: 0.4 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 82.83250000000004 | RDKit |
