8-(3',4'-Dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone
PubChem CID: 23259462
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 8-(3',4'-dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2C1CCCC2C1CCCCC1 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | COC=CC=O)ccC6=O))cccc6)))cccccc6)OC)))OC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CCC(O)C2C1CCCC2C1CCCCC1 |
| Classyfire Subclass | Naphthoquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 526.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(3,4-dimethoxyphenyl)-2-methoxynaphthalene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H16O5 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2c1cccc2-c1ccccc1 |
| Inchi Key | DBMKQPDXXBFDAV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 8-(3', 4'-dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone |
| Esol Class | Soluble |
| Functional Groups | COC1=CC(=O)ccC1=O, cOC |
| Compound Name | 8-(3',4'-Dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone |
| Exact Mass | 324.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 324.3 |
| 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/C19H16O5/c1-22-15-8-7-11(9-16(15)23-2)12-5-4-6-13-14(20)10-17(24-3)19(21)18(12)13/h4-10H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C3C(=CC=C2)C(=O)C=C(C3=O)OC)OC |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference:ISBN:9788172362140