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1,1′-(Dimethoxymethylene)Bis[Benzene]
CAS: 2235-01-0 | C15H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2235-01-0
Molecular Formula:
C15H16O2
Molecular Mass:
228.29 g/mol
Names and Synonyms:
1,1′-(Dimethoxymethylene)Bis[Benzene]
Benzene, 1,1′-(dimethoxymethylene)bis-
Benzophenone, dimethyl acetal
Methane, dimethoxydiphenyl-
1,1′-(Dimethoxymethylene)bis[benzene]
Dimethoxydiphenylmethane
Diphenyldimethoxymethane
Benzophenone dimethyl ketal
NSC 82332
Diphenyl ketone dimethyl acetal
[Dimethoxy(phenyl)methyl]benzene
Identifiers:
SMILES:
COC(OC)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
Key Properties
Boiling Point
102-105 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
107 °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 | 228.29 g/mol | CAS Common Chemistry |
| 228.29100000000003 g/mol | RDKit | |
| 228.115029752 g/mol | RDKit | |
| Boiling Point | 102-105 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NYRVXYOKUZSUDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107 °C | CAS Common Chemistry |
| Name | 1,1′-(Dimethoxymethylene)bis[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.180500000000002 | RDKit |
| Molar Refractivity | 67.68200000000004 | RDKit |
