DIPHENYL ETHER
CNP0246862.0 · C12H10O · View on COCONUT ↗
Identifiers
| Name | DIPHENYL ETHER |
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| IUPAC Name | phenoxybenzene |
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| COCONUT ID | CNP0246862.0 |
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| CAS | 101-84-8, 32576-61-7, 93952-05-7 |
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| InChIKey | USIUVYZYUHIAEV-UHFFFAOYSA-N |
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| InChI | InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
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| SMILES | C1=CC=C(OC2=CC=CC=C2)C=C1 |
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Properties
| Molecular Formula | C12H10O |
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| Molecular Weight | 170.21 |
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| Exact Mass | 170.07316 |
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| Log P (ALogP) | 3.48 |
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| TPSA | 9.23 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.67 |
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| NP-likeness | -0.40 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Benzene and substituted derivatives |
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| Chemical Subclass | Diphenylethers |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
