4-[3-Hydroxy-2-[1-(4-hydroxy-3-methoxyphenyl)-1-methoxybutan-2-yl]oxypropyl]-2,6-dimethoxyphenol
PubChem CID: 54581322
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| Compound Synonyms | CHEMBL1761708 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-hydroxy-2-[1-(4-hydroxy-3-methoxyphenyl)-1-methoxybutan-2-yl]oxypropyl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C23H32O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYIRLFCMHRNKFU-UHFFFAOYSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -3.845 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.844 |
| Compound Name | 4-[3-Hydroxy-2-[1-(4-hydroxy-3-methoxyphenyl)-1-methoxybutan-2-yl]oxypropyl]-2,6-dimethoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.21 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.905557812903227 |
| Inchi | InChI=1S/C23H32O8/c1-6-18(23(30-5)15-7-8-17(25)19(12-15)27-2)31-16(13-24)9-14-10-20(28-3)22(26)21(11-14)29-4/h7-8,10-12,16,18,23-26H,6,9,13H2,1-5H3 |
| Smiles | CCC(C(C1=CC(=C(C=C1)O)OC)OC)OC(CC2=CC(=C(C(=C2)OC)O)OC)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all