Difurfuryl ether
PubChem CID: 263034
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| Compound Synonyms | Difurfuryl ether, 4437-22-3, 2,2'-(Oxybis(methylene))difuran, Furfuryl ether, 2,2'-Difurfuryl ether, 2-(furan-2-ylmethoxymethyl)furan, Furan, 2,2'-(oxydimethylene)di-, Furan, 2,2'-[oxybis(methylene)]bis-, 2,2'-(Oxydimethylene)difuran, FEMA No. 3337, Furan, 2,2'-(oxybis(methylene))bis-, 2,2'-(Oxybis(methylene))bisfuran, Di-alpha-furfuryl ether, NSC 97234, BRN 0156726, 55L57OC81G, 2,2'-[Oxybis(methylene)]bisfuran, Difurfuryl ether (7CI), NSC-97234, DIFURFURYL ETHER [FHFI], DTXSID8063464, 2-{[(furan-2-yl)methoxy]methyl}furan, FURAN, 2,2'-OXYDIMETHYLENEBIS-, 5,5'-OXYDIMETHYLENE-BIS-(2-FURFURAL), 2,2'-(Oxybis(methylene))bis-Furan, 2,2'-[Oxybis(methylene)]bis-Furan, UNII-55L57OC81G, 2-[(furan-2-ylmethoxy)methyl]furan, Di-a-furfuryl ether, MFCD01725820, Bis(2-furylmethyl) ether, Furan, 2,2'-(oxydimethylene)di- (6CI,8CI), SCHEMBL891457, Furan,2'-(oxydimethylene)di-, 2,2'-(Oxydimethylene)di-Furan, 2-(uran-2-ylmethoxymethyl)uran, DTXCID7040316, FEMA 3337, 2-[(2-Furylmethoxy)methyl]furan, CHEBI:193974, Furan,2'-[oxybis(methylene)]bis-, NSC97234, 2,2\'-(Oxybis(methylene))difuran, 2-[(2-Furylmethoxy)methyl]furan #, AKOS006278742, SB61017, BS-53000, CS-0199135, NS00126877, Furan, 2,2'-(oxydimethylene)di-(6CI,8CI), E76163, Q27261318, 630-432-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCCC2CCCC2)C1 |
| Np Classifier Class | Furans |
| Deep Smiles | OCcccco5))))))Ccccco5 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1COC(COCC2CCCO2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(furan-2-ylmethoxymethyl)furan |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.3 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O3 |
| Scaffold Graph Node Bond Level | c1coc(COCc2ccco2)c1 |
| Inchi Key | YEQMNLGBLPBBNI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-[(2-Furylmethoxy)methyl]furan, 2,2'-(Oxybis(methylene))bis-furan, 2,2'-(Oxybis(methylene))bisfuran, 2,2'-(Oxydimethylene)di-furan, 2,2'-(Oxydimethylene)difuran, 2,2'-[Oxybis(methylene)]bis-furan, 2,2'-[Oxybis(methylene)]bisfuran, 2,2'-Difurfuryl ether, Bis(2-furylmethyl) ether, Di-a-furfuryl ether, Difurfuryl ether, Difurfuryl ether (7CI), FEMA 3337, Furan, 2,2'-(oxybis(methylene))bis-, Furan, 2,2'-(oxydimethylene)di-, Furan, 2,2'-(oxydimethylene)di- (6CI,8CI), Furan, 2,2'-[oxybis(methylene)]bis-, Furfuryl ether, Di-α-furfuryl ether, Difurfuryl ether (7ci), Furan, 2,2'-(oxydimethylene)di- (6ci,8ci), furfuryl,di, ether |
| Substituent Name | Heteroaromatic compound, Furan, Oxacycle, Ether, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteromonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | COC, coc |
| Compound Name | Difurfuryl ether |
| Kingdom | Organic compounds |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| 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/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2 |
| Smiles | C1=COC(=C1)COCC2=CC=CO2 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776