5-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2,3-trimethoxybenzene
PubChem CID: 162989997
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| Topological Polar Surface Area | 46.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 5-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2,3-trimethoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C23H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDTABXKGPYKKJI-JKSUJKDBSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -4.92 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.158 |
| Compound Name | 5-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2,3-trimethoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.421267657142858 |
| Inchi | InChI=1S/C23H32O5/c1-15(10-17-8-9-19(24-3)20(12-17)25-4)16(2)11-18-13-21(26-5)23(28-7)22(14-18)27-6/h8-9,12-16H,10-11H2,1-7H3/t15-,16+/m0/s1 |
| Smiles | C[C@@H](CC1=CC(=C(C=C1)OC)OC)[C@H](C)CC2=CC(=C(C(=C2)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients