2,4-Difurfurylfuran
PubChem CID: 53423642
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| Compound Synonyms | 2,4-Difurfurylfuran, 64280-32-6, Furan, 2,4-bis(2-furanylmethyl)-, 2,4-Bis(2-furylmethyl)furan, FEMA No. 4095, 2,4-bis(furan-2-ylmethyl)furan, 2,4-Difurfurylfuran [FIFH], 6Z65LJV61M, DTXSID90214497, 2,4-DIFURFURYLFURAN [FHFI], 2,2'-(Furan-2,4-diylbis(methylene))difuran, 2,4-Difurfurylfuran (FIFH), UNII-6Z65LJV61M, 2,4-DIFURFURYL FURAN, 2,4-bis(uran-2-ylmethyl)uran, SCHEMBL18339432, DTXCID90136988, CHEBI:173652, MLLNFQCJOXJITQ-UHFFFAOYSA-N, NS00123497, Q27265754 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCC(CC3CCCC3)C2)C1 |
| Np Classifier Class | 4-pyrone derivatives, Furans |
| Deep Smiles | ccocc5)Ccoccc5)Ccccco5 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1COC(CC2COC(CC3CCCO3)C2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-bis(furan-2-ylmethyl)furan |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O3 |
| Scaffold Graph Node Bond Level | c1coc(Cc2coc(Cc3ccco3)c2)c1 |
| Inchi Key | MLLNFQCJOXJITQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | furfuryl,2,4-di, furan |
| Esol Class | Soluble |
| Functional Groups | coc |
| Compound Name | 2,4-Difurfurylfuran |
| Kingdom | Organic compounds |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12O3/c1-3-12(15-5-1)7-11-8-14(17-10-11)9-13-4-2-6-16-13/h1-6,8,10H,7,9H2 |
| Smiles | C1=COC(=C1)CC2=CC(=CO2)CC3=CC=CO3 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Cyclic polyketides |
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FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776