1,3-Benzodioxole, 4,5-dimethoxy-6-propyl-
PubChem CID: 12837032
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 38174-54-8, dihydrodillapiole, 1,3-Benzodioxole, 4,5-dimethoxy-6-propyl-, SCHEMBL4194547, DTXSID80511109, 4,5-Dimethoxy-6-propyl-2H-1,3-benzodioxole |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | CCCcccOCOc5cc9OC)))OC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzodioxoles |
| Scaffold Graph Node Level | C1CCC2OCOC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethoxy-6-propyl-1,3-benzodioxole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H16O4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)OCO2 |
| Inchi Key | FAXSCILDKXZFKA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | dihydrodillapiole |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, cOC |
| Compound Name | 1,3-Benzodioxole, 4,5-dimethoxy-6-propyl- |
| Exact Mass | 224.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 224.25 |
| 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/C12H16O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h6H,4-5,7H2,1-3H3 |
| Smiles | CCCC1=CC2=C(C(=C1OC)OC)OCO2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Sowa (Plant) Rel Props:Reference:ISBN:9788171360536