1-[2-(Hydroxymethyl)prop-2-enyl]-3-methoxydibenzofuran-2,7-diol
PubChem CID: 49780662
Connections displayed (default: 10).
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| Topological Polar Surface Area | 83.1 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2-(hydroxymethyl)prop-2-enyl]-3-methoxydibenzofuran-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAWHWUJMXJUFKL-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.16 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.763 |
| Compound Name | 1-[2-(Hydroxymethyl)prop-2-enyl]-3-methoxydibenzofuran-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.998294727272727 |
| Inchi | InChI=1S/C17H16O5/c1-9(8-18)5-12-16-11-4-3-10(19)6-13(11)22-14(16)7-15(21-2)17(12)20/h3-4,6-7,18-20H,1,5,8H2,2H3 |
| Smiles | COC1=C(C(=C2C3=C(C=C(C=C3)O)OC2=C1)CC(=C)CO)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Lineata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Baccharis Patagonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hoya Australis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Thalictrum Glaucum (Plant) Rel Props:Source_db:cmaup_ingredients