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1,1′-Oxybis[4-(Methoxymethyl)Benzene]
CAS: 2509-26-4 | C16H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2509-26-4
Molecular Formula:
C16H18O3
Molecular Mass:
258.32 g/mol
Names and Synonyms:
1,1′-Oxybis[4-(Methoxymethyl)Benzene]
Benzene, 1,1′-oxybis[4-(methoxymethyl)-
Ether, bis(α-methoxy-p-tolyl)
1,1′-Oxybis[4-(methoxymethyl)benzene]
4,4′-Bis(methoxymethyl)diphenyl ether
4,4′-Dimethoxymethyldiphenyl ether
1-(Methoxymethyl)-4-[4-(methoxymethyl)phenoxy]benzene
Identifiers:
SMILES:
COCc1ccc(Oc2ccc(COC)cc2)cc1
InChI:
InChI=1S/C16H18O3/c1-17-11-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3
Key Properties
Boiling Point
158-161 °C @ Press: 2 Torr
CAS Common Chemistry
Density
1.10 g/cm³
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 | 258.32 g/mol | CAS Common Chemistry |
| 258.31699999999995 g/mol | RDKit | |
| 258.12559443600003 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1015 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 158-161 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)COC)C2=CC=C(C=C2)COC | CAS Common Chemistry |
| InChI | InChI=1S/C16H18O3/c1-17-11-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BMWBYLGWPWDACF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′-Oxybis[4-(methoxymethyl)benzene] | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.7717000000000027 | RDKit |
| Molar Refractivity | 74.38400000000004 | RDKit |
