4-[4-(4-Hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,6-dimethoxyphenol
PubChem CID: 5320703
Connections displayed (default: 10).
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| Topological Polar Surface Area | 77.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C22H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBXZKLJADNJZFN-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -5.249 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.787 |
| Compound Name | 4-[4-(4-Hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,6-dimethoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.071094057142857 |
| Inchi | InChI=1S/C22H30O6/c1-13(7-15-9-17(25-3)21(23)18(10-15)26-4)14(2)8-16-11-19(27-5)22(24)20(12-16)28-6/h9-14,23-24H,7-8H2,1-6H3 |
| Smiles | CC(CC1=CC(=C(C(=C1)OC)O)OC)C(C)CC2=CC(=C(C(=C2)OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients