1-Methoxy-4-[(E)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
PubChem CID: 13119212
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Methoxy-4-[(E)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-[(E)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Is Pains | False |
| Molecular Formula | C19H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLMZVDLRKUSZRC-XMHGGMMESA-N |
| Fcsp3 | 0.2631578947368421 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 1-Methoxy-4-[(E)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 282.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.3439317428571425 |
| Inchi | InChI=1S/C19H22O2/c1-5-19(16-8-12-18(21-4)13-9-16)14(2)15-6-10-17(20-3)11-7-15/h6-13H,5H2,1-4H3/b19-14+ |
| Smiles | CC/C(=C(/C)\C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients