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Molecule
1,1′-(Dimethoxymethylene)Bis[Benzene]
CAS: 2235-01-0 · C15H16O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2235-01-0
- Molecular Formula
- C15H16O2
- Molecular Mass
- 228.29 g/mol
Identifiers
CAS Registry Number
2235-01-0
SMILES
COC(OC)(c1ccccc1)c1ccccc1
InChI Key
NYRVXYOKUZSUDA-UHFFFAOYSA-N
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
Names and Synonyms
- 1,1′-(Dimethoxymethylene)Bis[Benzene] Systematic Name
- Benzene, 1,1′-(dimethoxymethylene)bis- Synonym
- Benzophenone, dimethyl acetal Synonym
- Methane, dimethoxydiphenyl- Synonym
- 1,1′-(Dimethoxymethylene)bis[benzene] Synonym
- Dimethoxydiphenylmethane Synonym
- Diphenyldimethoxymethane Synonym
- Benzophenone dimethyl ketal Synonym
- NSC 82332 Synonym
- Diphenyl ketone dimethyl acetal Synonym
- [Dimethoxy(phenyl)methyl]benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.29 g/mol | CAS Common Chemistry |
| 228.29100000000003 g/mol | RDKit | |
| 228.291 g/mol | RDKit | |
| 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 |
| 3.1805 | RDKit | |
| 2.88 | chempirical lib | |
| Molar Refractivity | 67.68200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 228.115029752 g/mol | RDKit |
| Boiling Point | 102-105 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 228.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16O2.
