1,2-Ethanediol, 1-(2-furanyl)-
PubChem CID: 566112
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| Compound Synonyms | 1,2-Ethanediol, 1-(2-furanyl)-, 19377-75-4, 1-(furan-2-yl)ethane-1,2-diol, 1-(2-Furyl)-1,2-ethanediol, 1-(2-Furyl)ethylene glycol, (1R)-1-(2-furanyl-)-1,2-Ethanediol, hydroxymethylfurfurol, SCHEMBL371100, 1-(2-furanyl)-1,2-ethanediol, DTXSID80340618, YOSOKWRRCVPEJS-UHFFFAOYSA-N, SB45464, EN300-1678003 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 53.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Furans |
| Deep Smiles | OCCcccco5)))))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(furan-2-yl)ethane-1,2-diol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8O3 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | YOSOKWRRCVPEJS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | hydroxymethylfurfurol |
| Esol Class | Very soluble |
| Functional Groups | CO, coc |
| Compound Name | 1,2-Ethanediol, 1-(2-furanyl)- |
| Exact Mass | 128.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 128.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8O3/c7-4-5(8)6-2-1-3-9-6/h1-3,5,7-8H,4H2 |
| Smiles | C1=COC(=C1)C(CO)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Cyclic polyketides |
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