5,5'-Diallyl-2,2'-biphenyldiol diacetate
PubChem CID: 14282782
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| Compound Synonyms | Magnolol diacetate, CHEMBL4288530, SCHEMBL18313945, PMCFDLCUUNJBIA-UHFFFAOYSA-N, 5,5'-Diallyl-2,2'-biphenyldiol diacetate, 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol diacetate, 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diyl diacetate |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-(2-acetyloxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C22H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMCFDLCUUNJBIA-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -6.178 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.232 |
| Compound Name | 5,5'-Diallyl-2,2'-biphenyldiol diacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.029805261538462 |
| Inchi | InChI=1S/C22H22O4/c1-5-7-17-9-11-21(25-15(3)23)19(13-17)20-14-18(8-6-2)10-12-22(20)26-16(4)24/h5-6,9-14H,1-2,7-8H2,3-4H3 |
| Smiles | CC(=O)OC1=C(C=C(C=C1)CC=C)C2=C(C=CC(=C2)CC=C)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients