2-BUTYLFURAN
CNP0200391.0 · C8H12O · View on COCONUT ↗
Identifiers
| Name | 2-BUTYLFURAN |
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| IUPAC Name | 2-butylfuran |
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| COCONUT ID | CNP0200391.0 |
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| CAS | 4466-24-4 |
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| InChIKey | NWZIYQNUCXUJJJ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3 |
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| SMILES | CCCCC1=CC=CO1 |
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Properties
| Molecular Formula | C8H12O |
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| Molecular Weight | 124.18 |
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| Exact Mass | 124.08882 |
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| Log P (ALogP) | 2.62 |
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| TPSA | 13.14 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 3 |
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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 | -0.67 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | Cyclic polyketides |
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| NP Class | Furans |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Furans |
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| Chemical Subclass | Furans |
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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.
