2-(4-Hydroxy-2-methoxyphenyl)-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-6-ol
PubChem CID: 156012939
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL4639007, BDBM50539734 |
|---|---|
| Topological Polar Surface Area | 72.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-2-methoxyphenyl)-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-6-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 5.1 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKAKCXYPOMCITO-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -3.844 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.778 |
| Compound Name | 2-(4-Hydroxy-2-methoxyphenyl)-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.378715476923078 |
| Inchi | InChI=1S/C21H22O5/c1-12(2)5-7-14-17(23)11-20-16(21(14)25-4)10-19(26-20)15-8-6-13(22)9-18(15)24-3/h5-6,8-11,22-23H,7H2,1-4H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)OC)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients