7-[2-Hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol
PubChem CID: 101995284
Connections displayed (default: 10).
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| Topological Polar Surface Area | 88.4 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 688.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[2-hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C30H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SCXUZSUKZXQBLZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.263 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.229 |
| Compound Name | 7-[2-Hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 484.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.945330933333335 |
| Inchi | InChI=1S/C30H28O6/c1-34-24-16-21-9-8-20-15-23(10-11-25(20)29(21)26(32)17-24)36-30-27(33)13-19(14-28(30)35-2)7-6-18-4-3-5-22(31)12-18/h3-5,10-17,31-33H,6-9H2,1-2H3 |
| Smiles | COC1=CC2=C(C3=C(CC2)C=C(C=C3)OC4=C(C=C(C=C4OC)CCC5=CC(=CC=C5)O)O)C(=C1)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients