1,5-Dimethoxyphenanthrene-2,7-diol
PubChem CID: 158976
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| Compound Synonyms | 86630-47-9, 1,5-dimethoxyphenanthrene-2,7-diol, 2,7-Phenanthrenediol, 1,5-dimethoxy-, DTXSID901006971, 2,7-dihydroxy-4,8-dimethoxyphenanthrene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | COcccO)ccc6cccccc6cc%10)))OC)))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Classyfire Subclass | Phenanthrols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethoxyphenanthrene-2,7-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H14O4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)ccc1ccccc12 |
| Inchi Key | FEKWNIUACHRZJW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1,5-dimethoxyphenanthrene-2,7-diol |
| Esol Class | Moderately soluble |
| Functional Groups | cO, cOC |
| Compound Name | 1,5-Dimethoxyphenanthrene-2,7-diol |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| 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/C16H14O4/c1-19-14-8-10(17)7-9-3-4-12-11(15(9)14)5-6-13(18)16(12)20-2/h3-8,17-18H,1-2H3 |
| Smiles | COC1=C2C(=CC(=C1)O)C=CC3=C2C=CC(=C3OC)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Eulophia Spectabilis (Plant) Rel Props:Reference:ISBN:9788185042138