Diphenyl ether
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CAS Number 101-84-8
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Catalog Number io-5839
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Classification Ethers
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Molecular Weight 170.2100
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SMILES C1=CC=C(C=C1)OC2=CC=CC=C2
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Diphenyl ether is an aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. It has a role as a plant metabolite.
| 1 | DIPHENYL ETHER |
| 2 | Diphenyl oxide |
| 3 | Phenyl ether |
| 4 | Phenoxybenzene |
| 5 | Oxydibenzene |
| Molecular Formula | C12H10O |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2 |
| Isomeric SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2 |
| Molecular Weight | 170.2100 |
| InChIKey | USIUVYZYUHIAEV-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
| XLogP | 4.2000 |
| ExactMass | 170.0732 |
| MonoisotopicMass | 170.0732 |
| TPSA | 9.2000 |
| Complexity | 116.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 131270 |
| PatentFamilyCount | 51969 |
| LiteratureCount | 4752 |
