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Molecule
1,2-Diphenoxyethane
CAS: 104-66-5 · C14H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 104-66-5
- Molecular Formula
- C14H14O2
- Molecular Mass
- 214.26 g/mol
Identifiers
CAS Registry Number
104-66-5
SMILES
c1ccc(OCCOc2ccccc2)cc1
InChI Key
XCSGHNKDXGYELG-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
Names and Synonyms
- 1,2-Diphenoxyethane Systematic Name
- Benzene, 1,1′-[1,2-ethanediylbis(oxy)]bis- Synonym
- Ethane, 1,2-diphenoxy- Synonym
- 1,1′-[1,2-Ethanediylbis(oxy)]bis[benzene] Synonym
- 1,2-Diphenoxyethane Synonym
- Ethylene glycol diphenyl ether Synonym
- 2-Phenoxyethyl phenyl ether Synonym
- NSC 6794 Synonym
- (2-Phenoxyethoxy)benzene Synonym
- 2-Phenoxyethoxybenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.26 g/mol | CAS Common Chemistry |
| 214.26400000000004 g/mol | RDKit | |
| 214.264 g/mol | RDKit | |
| Boiling Point | 182 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)CCOC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XCSGHNKDXGYELG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98 °C | CAS Common Chemistry |
| Name | 1,2-Diphenoxyethane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.144400000000002 | RDKit |
| 3.1444 | RDKit | |
| Molar Refractivity | 63.87400000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 214.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 214.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O2.
