(Z)-3-(4-Hydroxyphenyl)acrylic acid docosylester
PubChem CID: 12083115
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (Z)-3-(4-Hydroxyphenyl)acrylic acid docosylester, (Z)-3-(4-Hydroxyphenyl)acrylicaciddocosylester |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 465.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docosyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 12.8 |
| Is Pains | False |
| Molecular Formula | C31H52O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHDAMXFKBIUHBU-PNHLSOANSA-N |
| Fcsp3 | 0.7096774193548387 |
| Rotatable Bond Count | 24.0 |
| Compound Name | (Z)-3-(4-Hydroxyphenyl)acrylic acid docosylester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.392 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 472.392 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 472.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -9.40686303529412 |
| Inchi | InChI=1S/C31H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-34-31(33)27-24-29-22-25-30(32)26-23-29/h22-27,32H,2-21,28H2,1H3/b27-24- |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C1=CC=C(C=C1)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients