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Molecule
1,1′-Oxybis[4-Methylbenzene]
CAS: 1579-40-4 · C14H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1579-40-4
- Molecular Formula
- C14H14O
- Molecular Mass
- 198.26 g/mol
Identifiers
CAS Registry Number
1579-40-4
SMILES
Cc1ccc(Oc2ccc(C)cc2)cc1
InChI Key
YWYHGNUFMPSTTR-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
Names and Synonyms
- 1,1′-Oxybis[4-Methylbenzene] Synonym
- Benzene, 1,1′-oxybis[4-methyl- Synonym
- p-Tolyl ether Synonym
- 1,1′-Oxybis[4-methylbenzene] Synonym
- 4,4′-Dimethyldiphenyl ether Synonym
- Di-p-Tolyl ether Synonym
- Bis(4-methylphenyl) ether Synonym
- p-(p-Tolyloxy)toluene Synonym
- 1-Methyl-4-(4-methylphenoxy)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.26 g/mol | CAS Common Chemistry |
| 198.26500000000001 g/mol | RDKit | |
| 198.265 g/mol | RDKit | |
| Boiling Point | 285 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YWYHGNUFMPSTTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C | CAS Common Chemistry |
| Name | 1,1′-Oxybis[4-methylbenzene] | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.095740000000003 | RDKit |
| 4.0957 | RDKit | |
| Molar Refractivity | 62.43200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 198.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 198.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O.
