2,3,4,6,7-Pentamethoxy-9,10-Dihydrophenanthrene
PubChem CID: 21629844
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| Compound Synonyms | 2,3,4,6,7-Pentamethoxy-9,10-dihydrophenanthrene, 35323-53-6, CHEMBL3314711, HY-N10966, DA-60007, CS-0637800 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,6,7-pentamethoxy-9,10-dihydrophenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UXPMGFOMOMHUTK-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.486 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.318 |
| Compound Name | 2,3,4,6,7-Pentamethoxy-9,10-Dihydrophenanthrene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2593559999999995 |
| Inchi | InChI=1S/C19H22O5/c1-20-14-8-11-6-7-12-9-16(22-3)18(23-4)19(24-5)17(12)13(11)10-15(14)21-2/h8-10H,6-7H2,1-5H3 |
| Smiles | COC1=C(C=C2C(=C1)CCC3=CC(=C(C(=C32)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all