1-[2-(Hydroxymethyl)prop-2-enyl]-3,7-dimethoxydibenzofuran-2-ol
PubChem CID: 49780663
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2-(hydroxymethyl)prop-2-enyl]-3,7-dimethoxydibenzofuran-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOFHQPMMHJWOEP-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.966 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.993 |
| Compound Name | 1-[2-(Hydroxymethyl)prop-2-enyl]-3,7-dimethoxydibenzofuran-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.201850269565218 |
| Inchi | InChI=1S/C18H18O5/c1-10(9-19)6-13-17-12-5-4-11(21-2)7-14(12)23-15(17)8-16(22-3)18(13)20/h4-5,7-8,19-20H,1,6,9H2,2-3H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C(=C(C=C3O2)OC)O)CC(=C)CO |
| 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