2-(2,4-Dihydroxyphenyl)-5-(3-methylbut-2-enyl)-1-benzofuran-4,6-diol
PubChem CID: 162881915
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.1 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-5-(3-methylbut-2-enyl)-1-benzofuran-4,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MIWDWORIJPQZQV-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.212 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.096 |
| Compound Name | 2-(2,4-Dihydroxyphenyl)-5-(3-methylbut-2-enyl)-1-benzofuran-4,6-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9565576 |
| Inchi | InChI=1S/C19H18O5/c1-10(2)3-5-13-16(22)9-18-14(19(13)23)8-17(24-18)12-6-4-11(20)7-15(12)21/h3-4,6-9,20-23H,5H2,1-2H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)O)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 - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients