1,2,4-Trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)cyclobutyl]benzene
PubChem CID: 10000325
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 55.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)cyclobutyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C22H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JSEZFCVVWRJUJW-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -5.186 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.694 |
| Compound Name | 1,2,4-Trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)cyclobutyl]benzene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 388.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.815894857142858 |
| Inchi | InChI=1S/C22H28O6/c1-23-17-11-21(27-5)19(25-3)9-15(17)13-7-8-14(13)16-10-20(26-4)22(28-6)12-18(16)24-2/h9-14H,7-8H2,1-6H3 |
| Smiles | COC1=CC(=C(C=C1C2CCC2C3=CC(=C(C=C3OC)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients