2,5-Dimethoxy-9,10-dihydrophenanthrene-1,7-diol
PubChem CID: 14104268
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| Compound Synonyms | 2,5-Dimethoxy-9,10-dihydrophenanthrene-1,7-diol, 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol, CHEMBL2418386, SCHEMBL12465709 |
|---|---|
| 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)ccc6-cccccc6CC%10)))O))OC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Classyfire Subclass | Hydrophenanthrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H16O4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCc1ccccc1-2 |
| Inchi Key | YSSFIGREEVEYNI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 9,10-dihdyro-2,5-dimethoxyphenanthrene-1,7-diol, 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | 2,5-Dimethoxy-9,10-dihydrophenanthrene-1,7-diol |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| 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/C16H16O4/c1-19-13-6-5-11-12(16(13)18)4-3-9-7-10(17)8-14(20-2)15(9)11/h5-8,17-18H,3-4H2,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3OC)O)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:9770972795006; ISBN:9788185042138