2-Propanone, 1,1'-(4,4',5,5',6,6'-hexamethoxy[1,1'-biphenyl]-2,2'-diyl)bis-
PubChem CID: 11102348
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| Compound Synonyms | 61281-44-5, 1-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(2-oxopropyl)phenyl]phenyl]propan-2-one, 2-Propanone, 1,1'-(4,4',5,5',6,6'-hexamethoxy[1,1'-biphenyl]-2,2'-diyl)bis-, 1-(3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-(2-oxopropyl)phenyl)phenyl)propan-2-one, 2-Propanone, 1,1'-(4,4',5,5',6,6'-hexamethoxy(1,1'-biphenyl)-2,2'-diyl)bis-, CHEMBL2386332, DTXSID801142817, 2-Propanone, 1,1a(2)-(4,4a(2),5,5a(2),6,6a(2)-hexamethoxy[1,1a(2)-biphenyl]-2,2a(2)-diyl)bis- |
|---|---|
| Topological Polar Surface Area | 89.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 559.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(2-oxopropyl)phenyl]phenyl]propan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C24H30O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXDZHOUJAOUHPZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.465 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.089 |
| Compound Name | 2-Propanone, 1,1'-(4,4',5,5',6,6'-hexamethoxy[1,1'-biphenyl]-2,2'-diyl)bis- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.194 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 446.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.810375200000002 |
| Inchi | InChI=1S/C24H30O8/c1-13(25)9-15-11-17(27-3)21(29-5)23(31-7)19(15)20-16(10-14(2)26)12-18(28-4)22(30-6)24(20)32-8/h11-12H,9-10H2,1-8H3 |
| Smiles | CC(=O)CC1=CC(=C(C(=C1C2=C(C(=C(C=C2CC(=O)C)OC)OC)OC)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Neglecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all