2-(2-Furfuryl)furan
PubChem CID: 70972
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| Compound Synonyms | 1197-40-6, Furan, 2,2'-methylenebis-, 2,2-Methylenebisfuran, 2-(furan-2-ylmethyl)furan, 2,2'-Difurylmethane, Di-2-furylmethane, 2-Furfurylfuran, Di(furan-2-yl)methane, 2,2'-Methylenebisfuran, Di-2-furanylmethane, Di(2-furyl)methane, Furan, 2,2'-methylenedi-, 2,2'-Methylene difuran, MFCD02313518, C79T9U9658, 2,2-DIFURYLMETHANE, 2,2-METHYLENEDIFURAN, 2-(2-FURFURYL)FURAN, DTXSID2075182, FEMA NO. 4540, FURAN, 2,2-METHYLENEBIS-, Furan,2,2'-methylenebis-, Di-alpha-furylmethane, bis(2-furyl) methane, EINECS 214-826-6, difurylmethane, UNII-C79T9U9658, di-2-Furyl methane, Di-alpha -furylmethane, Di-.alpha.-furylmethane, 2-(2-Furylmethyl)furan, 2,2'-methylenebis-furan, 2,2'-Methylenedi-Furan, 2-(uran-2-ylmethyl)uran, 2-(2-Furylmethyl)furan #, 2,2'-methanediyl-bis-furan, 2,2'-Methylenebisfuran, 9CI, SCHEMBL1404275, DTXCID8033518, CHEBI:178481, AKOS027322767, AS-78240, SY285828, NS00021559, A11712, Q27275277 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCC2)C1 |
| Np Classifier Class | Furans |
| Deep Smiles | ccocc5)Ccccco5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Minor constituent of coffee. Di-2-furanylmethane is found in coffee and coffee products. |
| Scaffold Graph Node Level | C1COC(CC2CCCO2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(furan-2-ylmethyl)furan |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H8O2 |
| Scaffold Graph Node Bond Level | c1coc(Cc2ccco2)c1 |
| Inchi Key | YHGNXEIQSHICNK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | 2-(2-Furylmethyl)furan, 2-Furfurylfuran, 2,2-Methylenebisfuran, 2,2'-Difurylmethane, 2,2'-Methylene difuran, 2,2'-Methylenebis-furan, 2,2'-methylenebisfuran, 2,2'-Methylenebisfuran, 9CI, 2,2'-Methylenedi-furan, Di-&alpha, -furylmethane, Di-alpha -furylmethane, Furan, 2,2'-methylenebis-, Furan, 2,2'-methylenedi-, 2,2'-Methylenebisfuran, 2,2'-Methylenebisfuran, 9ci, 2-furfurylfuran |
| Esol Class | Soluble |
| Functional Groups | coc |
| Compound Name | 2-(2-Furfuryl)furan |
| Kingdom | Organic compounds |
| Exact Mass | 148.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 148.16 |
| 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/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2 |
| Smiles | C1=COC(=C1)CC2=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 Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517 - 2. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517