Benzyl-2,3,5,6-tetramethoxybenzoate
PubChem CID: 13994632
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| Compound Synonyms | benzyl-2,3,5,6-tetramethoxybenzoate |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Deep Smiles | COccOC))cccc6C=O)OCcccccc6))))))))))OC)))OC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(OCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzyl 2,3,5,6-tetramethoxybenzoate |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H20O6 |
| Scaffold Graph Node Bond Level | O=C(OCc1ccccc1)c1ccccc1 |
| Inchi Key | ZWIMLBZHXQKBOF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | benzyl-2,3,5,6-tetramethoxybenzoate |
| Esol Class | Soluble |
| Functional Groups | cC(=O)OC, cOC |
| Compound Name | Benzyl-2,3,5,6-tetramethoxybenzoate |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| 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/C18H20O6/c1-20-13-10-14(21-2)17(23-4)15(16(13)22-3)18(19)24-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3 |
| Smiles | COC1=CC(=C(C(=C1OC)C(=O)OCC2=CC=CC=C2)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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