5-(Ethoxymethyl)furan-2-carbaldehyde
PubChem CID: 12648080
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-(ethoxymethyl)furan-2-carbaldehyde, 1917-65-3, 2-Furancarboxaldehyde, 5-(ethoxymethyl)-, 5-ethoxymethylfurfural, ethoxymethylfurfural, 5-(Ethoxymethyl)-2-furaldehyde, Ethoxymethylfurfural [MI], 5-Ethoxymethyl-2-furfural, 2-Formyl-5-ethoxymethylfuran, MFCD06803262, 0826YO734G, 5-(Ethoxymethyl)furfural, EMF, UNII-0826YO734G, SCHEMBL273028, DTXSID30505619, CCDRPZFMDMKZSZ-UHFFFAOYSA-N, GEO-02730, AKOS003657067, CS-W018043, SB61106, AS-64475, DB-368130, 5-(Ethoxymethyl)furan-2-carboxaldehyde, 97%, EN300-130494, N16960, Q27236349, Z1198171016 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Furans |
| Deep Smiles | CCOCcccco5)C=O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(ethoxymethyl)furan-2-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O3 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | CCDRPZFMDMKZSZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 5-ethoxy-methyl-furfural, furfural,5-(ethoxy-methyl) |
| Esol Class | Very soluble |
| Functional Groups | COC, cC=O, coc |
| Compound Name | 5-(Ethoxymethyl)furan-2-carbaldehyde |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3 |
| Smiles | CCOCC1=CC=C(O1)C=O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279