2-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]-5-methylphenol
PubChem CID: 57644104
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| Compound Synonyms | SCHEMBL13886252 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]-5-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C23H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNDMZSWUYVXEQL-UHFFFAOYSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -2.066 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.078 |
| Compound Name | 2-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]-5-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.456222288888889 |
| Inchi | InChI=1S/C23H26O4/c1-14(2)6-8-18-21(25-4)12-22-19(23(18)26-5)11-16(13-27-22)17-9-7-15(3)10-20(17)24/h6-7,9-12,24H,8,13H2,1-5H3 |
| Smiles | CC1=CC(=C(C=C1)C2=CC3=C(C(=C(C=C3OC2)OC)CC=C(C)C)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients