5-[5-hydroxy-7-[(E)-3-methylbut-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
PubChem CID: 11130690
Connections displayed (default: 10).
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| Topological Polar Surface Area | 73.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[5-hydroxy-7-[(E)-3-methylbut-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKOVLDBHCOYIEA-ONEGZZNKSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.021 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.848 |
| Compound Name | 5-[5-hydroxy-7-[(E)-3-methylbut-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.003472495652174 |
| Inchi | InChI=1S/C19H18O4/c1-11(2)3-4-12-5-15(20)8-14-9-18(23-19(12)14)13-6-16(21)10-17(22)7-13/h3-11,20-22H,1-2H3/b4-3+ |
| Smiles | CC(C)/C=C/C1=C2C(=CC(=C1)O)C=C(O2)C3=CC(=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Canthium Berberidifolium (Plant) Rel Props:Source_db:cmaup_ingredients