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1,1′-(Oxydi-4,1-Phenylene)Bis[Ethanone]
CAS: 2615-11-4 | C16H14O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2615-11-4
Molecular Formula:
C16H14O3
Molecular Mass:
254.28 g/mol
Names and Synonyms:
1,1′-(Oxydi-4,1-Phenylene)Bis[Ethanone]
Ethanone, 1,1′-(oxydi-4,1-phenylene)bis-
Acetophenone, 4′,4′′′-oxydi-
1,1′-(Oxydi-4,1-phenylene)bis[ethanone]
4,4′-Diacetyldiphenyl oxide
p,p′-Diacetyldiphenyl ether
Bis(p-acetylphenyl) ether
Bis(4-acetylphenyl) ether
4,4′-Diacetyldiphenyl ether
4,4′-Oxydiacetophenone
4,4′-Oxybis(acetophenone)
NSC 214
1-[4-(4-Acetylphenoxy)phenyl]ethanone
1-[4-(4-Acetylphenoxy)phenyl]ethan-1-one
Identifiers:
SMILES:
CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChI:
InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
Key Properties
Boiling Point
213-217 °C @ Press: 0.3-0.5 Torr
CAS Common Chemistry
Melting Point
100-101 °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 | 254.28 g/mol | CAS Common Chemistry |
| 254.285 g/mol | RDKit | |
| 254.094294308 g/mol | RDKit | |
| Boiling Point | 213-217 °C @ Press: 0.3-0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(OC2=CC=C(C=C2)C(=O)C)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GZRGHDIUPMPHCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100-101 °C | CAS Common Chemistry |
| Name | 1,1′-(Oxydi-4,1-phenylene)bis[ethanone] | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 3.8841000000000028 | RDKit |
| Molar Refractivity | 72.96700000000003 | RDKit |
