2-(7,8-Dimethoxy-4-methyldibenzofuran-1-yl)-5-methylphenol
PubChem CID: 162866309
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| Topological Polar Surface Area | 51.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(7,8-dimethoxy-4-methyldibenzofuran-1-yl)-5-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C22H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GFPWLVMNIMBPFW-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -6.611 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.007 |
| Compound Name | 2-(7,8-Dimethoxy-4-methyldibenzofuran-1-yl)-5-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.877136830769231 |
| Inchi | InChI=1S/C22H20O4/c1-12-5-7-14(17(23)9-12)15-8-6-13(2)22-21(15)16-10-19(24-3)20(25-4)11-18(16)26-22/h5-11,23H,1-4H3 |
| Smiles | CC1=CC(=C(C=C1)C2=C3C4=CC(=C(C=C4OC3=C(C=C2)C)OC)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrostophyllum Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Aucheri (Plant) Rel Props:Source_db:cmaup_ingredients