1-(7-Hydroxy-4-methoxyphenanthren-2-yl)-4-methoxyphenanthrene-2,7-diol
PubChem CID: 101636138
Connections displayed (default: 10).
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| Topological Polar Surface Area | 79.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 730.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(7-hydroxy-4-methoxyphenanthren-2-yl)-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C30H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQLWUJLYJHAREH-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.807 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.14 |
| Compound Name | 1-(7-Hydroxy-4-methoxyphenanthren-2-yl)-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.7761062 |
| Inchi | InChI=1S/C30H22O5/c1-34-26-14-19(11-18-4-3-16-12-20(31)6-9-22(16)29(18)26)28-24-8-5-17-13-21(32)7-10-23(17)30(24)27(35-2)15-25(28)33/h3-15,31-33H,1-2H3 |
| Smiles | COC1=C2C(=CC(=C1)C3=C4C=CC5=C(C4=C(C=C3O)OC)C=CC(=C5)O)C=CC6=C2C=CC(=C6)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients