4-(4-methoxy-7,8,8-trimethyl-7H-furo[2,3-g][1]benzofuran-2-yl)benzene-1,3-diol
PubChem CID: 127043260
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| Compound Synonyms | CHEMBL3810363 |
|---|---|
| Topological Polar Surface Area | 72.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4-methoxy-7,8,8-trimethyl-7H-furo[2,3-g][1]benzofuran-2-yl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YZUBHVSZKWHTAI-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.4 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.781 |
| Compound Name | 4-(4-methoxy-7,8,8-trimethyl-7H-furo[2,3-g][1]benzofuran-2-yl)benzene-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 340.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.135125 |
| Inchi | InChI=1S/C20H20O5/c1-10-20(2,3)18-17(24-10)9-15(23-4)13-8-16(25-19(13)18)12-6-5-11(21)7-14(12)22/h5-10,21-22H,1-4H3 |
| Smiles | CC1C(C2=C3C(=C(C=C2O1)OC)C=C(O3)C4=C(C=C(C=C4)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients