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1,2-Bis(4-Methoxyphenyl)Ethanone
CAS: 120-44-5 | C16H16O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
120-44-5
Molecular Formula:
C16H16O3
Molecular Mass:
256.30 g/mol
Names and Synonyms:
1,2-Bis(4-Methoxyphenyl)Ethanone
Ethanone, 1,2-bis(4-methoxyphenyl)-
Acetophenone, 4′-methoxy-2-(p-methoxyphenyl)-
1,2-Bis(4-methoxyphenyl)ethanone
Deoxyanisoin
4,4′-Dimethoxydeoxybenzoin
4-Methoxybenzyl 4-methoxyphenyl ketone
Deoxy-p-anisoin
1,2-Di-p-anisylethanone
1,2-Bis(p-methoxyphenyl)ethanone
p-Methoxybenzyl p-methoxyphenyl ketone
4′-Methoxy-2-(p-methoxyphenyl)acetophenone
Desoxy-p-anisoin
α-(p-Methoxyphenyl)-p-methoxyacetophenone
4′-Methoxy-2-(4-methoxyphenyl)acetophenone
NSC 26660
NSC 8793
Desoxyanisoin
Identifiers:
SMILES:
COc1ccc(CC(=O)c2ccc(OC)cc2)cc1
InChI:
InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
Key Properties
Boiling Point
130-200 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
109-111 °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 | 256.30 g/mol | CAS Common Chemistry |
| 256.301 g/mol | RDKit | |
| 256.10994437200003 g/mol | RDKit | |
| Boiling Point | 130-200 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(OC)C=C1)CC2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SICBLYCPRWNHHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109-111 °C | CAS Common Chemistry |
| Name | 1,2-Bis(4-methoxyphenyl)ethanone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 3.1292000000000018 | RDKit |
| Molar Refractivity | 74.02250000000004 | RDKit |
