5-(6-Hydroxy-1-benzofuran-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
PubChem CID: 15233697
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| Topological Polar Surface Area | 73.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 543.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(6-hydroxy-1-benzofuran-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C24H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KDAQWQOQVSVFQO-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.913 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.5 |
| Compound Name | 5-(6-Hydroxy-1-benzofuran-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 378.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.518030171428571 |
| Inchi | InChI=1S/C24H26O4/c1-14(2)5-9-18-20(26)13-21(27)19(10-6-15(3)4)24(18)23-11-16-7-8-17(25)12-22(16)28-23/h5-8,11-13,25-27H,9-10H2,1-4H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Cathayana (Plant) Rel Props:Source_db:cmaup_ingredients