9-Hydroxyeriobofuran
PubChem CID: 46879746
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| Compound Synonyms | 9-hydroxyeriobofuran, 167278-41-3, 6,8-dimethoxydibenzofuran-1,7-diol, CHEMBL1080657, HY-N9084, SGA27841, AKOS040761294, 1,7-dihydroxy-6,8-dimethoxydibenzofuran, DA-70405, CS-0158670 |
|---|---|
| Topological Polar Surface Area | 72.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dimethoxydibenzofuran-1,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQWSIJRLYROCFW-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.802 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.829 |
| Compound Name | 9-Hydroxyeriobofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 260.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6485347894736835 |
| Inchi | InChI=1S/C14H12O5/c1-17-10-6-7-11-8(15)4-3-5-9(11)19-13(7)14(18-2)12(10)16/h3-6,15-16H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)C3=C(C=CC=C3O2)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all