2-[1-[3,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]propan-2-yloxy]-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene
PubChem CID: 10461145
Connections displayed (default: 10).
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| Topological Polar Surface Area | 83.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 754.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[1-[3,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]propan-2-yloxy]-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C34H44O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNSPYHAAXNQEMW-VAWYXSNFSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -5.982 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.142 |
| Compound Name | 2-[1-[3,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]propan-2-yloxy]-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 596.299 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 596.299 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 596.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.486912841860467 |
| Inchi | InChI=1S/C34H44O9/c1-11-12-23-15-28(37-6)33(29(16-23)38-7)42-22(3)14-25-19-30(39-8)34(31(20-25)40-9)43-21(2)13-24-17-26(35-4)32(41-10)27(18-24)36-5/h11-12,15-22H,13-14H2,1-10H3/b12-11+ |
| Smiles | C/C=C/C1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC(C)CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bonamia Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients