3-Phenylfuran
CNP0103654.0 · C10H8O · View on COCONUT ↗
Identifiers
| Name | 3-Phenylfuran |
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| IUPAC Name | 3-phenylfuran |
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| COCONUT ID | CNP0103654.0 |
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| CAS | 13679-41-9 |
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| InChIKey | BNANPEQZOWHZKY-UHFFFAOYSA-N |
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| InChI | InChI=1S/C10H8O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H |
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| SMILES | C1=CC=C(C2=COC=C2)C=C1 |
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Properties
| Molecular Formula | C10H8O |
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| Molecular Weight | 144.17 |
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| Exact Mass | 144.05751 |
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| Log P (ALogP) | 2.95 |
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| TPSA | 13.14 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.60 |
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| NP-likeness | 0.09 |
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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 | Benzene and substituted derivatives |
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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.
