Isodunnianol
PubChem CID: 15714606
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| Compound Synonyms | Isodunnianol, 139726-30-0, Isodunnial, 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)phenol, 5,5'-Diallyl-3-(4-allylphenoxy)-[1,1'-biphenyl]-2,2'-diol, [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propenyl-3-[4-(2-propenyl)phenoxy]- (9CI), 5,5'-Di-2-propen-1-yl-3-[4-(2-propen-1-yl)phenoxy][1,1'-biphenyl]-2,2'-diol, 5,5'-Diallyl-3-(4-allylphenoxy)-2,2'-biphenyldiol, HY-N3486, PFA72630, AKOS032948169, DA-64534, FS-10334, CS-0024364, (1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propen-1-yl-3-(4-(2-propen-1-yl)phenoxy)- |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 7.6 |
| Molecular Formula | C27H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HFHHTRIAKONNBG-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.639 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.295 |
| Compound Name | Isodunnianol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 398.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 398.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.936112400000001 |
| Inchi | InChI=1S/C27H26O3/c1-4-7-19-10-13-22(14-11-19)30-26-18-21(9-6-3)17-24(27(26)29)23-16-20(8-5-2)12-15-25(23)28/h4-6,10-18,28-29H,1-3,7-9H2 |
| Smiles | C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)C3=C(C=CC(=C3)CC=C)O)CC=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients