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Molecule
Diphenyl Ether
CAS: 101-84-8 · C12H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-84-8
- Molecular Formula
- C12H10O
- Molecular Mass
- 170.21 g/mol
Identifiers
CAS Registry Number
101-84-8
SMILES
c1ccc(Oc2ccccc2)cc1
InChI Key
USIUVYZYUHIAEV-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Diphenyl Ether Common Name
- Benzene, 1,1′-oxybis- Synonym
- Phenyl ether Synonym
- 1,1′-Oxybis[benzene] Synonym
- Benzene, phenoxy- Synonym
- Biphenyl oxide Synonym
- Diphenyl ether Synonym
- Diphenyl oxide Synonym
- Phenoxybenzene Synonym
- Phenyl oxide Synonym
- Chemcryl JK-EB Synonym
- Oxybisbenzene Synonym
- NSC 19311 Synonym
- Barrel Therm 330 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.21 g/mol | CAS Common Chemistry |
| 170.21099999999998 g/mol | RDKit | |
| 170.211 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyl_ether | CAS Common Chemistry |
| Boiling Point | 259 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=USIUVYZYUHIAEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | Diphenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 3.478900000000001 | RDKit |
| 3.4789 | RDKit | |
| Molar Refractivity | 52.958000000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 170.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 170.21 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O.
