2,4-Dimethoxy-3,7-dibenzofurandiol
PubChem CID: 46879745
Connections displayed (default: 10).
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| Compound Synonyms | delta-cotonefuran, PDB5K2YPH8, 2,4-Dimethoxy-3,7-dibenzofurandiol, 3,7-Dibenzofurandiol, 2,4-dimethoxy-, UNII-PDB5K2YPH8, 1188276-92-7, .DELTA.-COTONEFURAN, CHEMBL1080487 |
|---|---|
| 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 | 2,4-dimethoxydibenzofuran-3,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOMKWMFPHKNOIU-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.677 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.813 |
| Compound Name | 2,4-Dimethoxy-3,7-dibenzofurandiol |
| 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/c1-17-11-6-9-8-4-3-7(15)5-10(8)19-13(9)14(18-2)12(11)16/h3-6,15-16H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)C3=C(O2)C=C(C=C3)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 - 2. Outgoing r'ship
FOUND_INto/from Ceratostigma Willmottianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pinus Resinosa (Plant) Rel Props:Source_db:npass_chem_all