2-[3-Hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
PubChem CID: 5319929
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| Topological Polar Surface Area | 62.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 590.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQCIZSDZXMIYOY-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -3.288 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.401 |
| Compound Name | 2-[3-Hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.7332276206896555 |
| Inchi | InChI=1S/C25H28O4/c1-15(2)6-10-19-21(27)14-23(28-5)20(11-7-16(3)4)25(19)24-12-17-8-9-18(26)13-22(17)29-24/h6-9,12-14,26-27H,10-11H2,1-5H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1O)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients