2-(4-Hydroxy-2-methoxyphenyl)-5-(2-methylbut-3-en-2-yl)-1-benzofuran-6-ol
PubChem CID: 5315559
Connections displayed (default: 10).
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| Topological Polar Surface Area | 62.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-2-methoxyphenyl)-5-(2-methylbut-3-en-2-yl)-1-benzofuran-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPOHPQRMFCBMHO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.51 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.747 |
| Compound Name | 2-(4-Hydroxy-2-methoxyphenyl)-5-(2-methylbut-3-en-2-yl)-1-benzofuran-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.319331200000001 |
| Inchi | InChI=1S/C20H20O4/c1-5-20(2,3)15-8-12-9-19(24-17(12)11-16(15)22)14-7-6-13(21)10-18(14)23-4/h5-11,21-22H,1H2,2-4H3 |
| Smiles | CC(C)(C=C)C1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Burttii (Plant) Rel Props:Source_db:cmaup_ingredients