Integrifoliolin
PubChem CID: 163184357
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| Compound Synonyms | Integrifoliolin, (E)-3-(4-(3-methylbut-2-enoxy)phenyl)prop-2-enal, (E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enal, 1004264-59-8 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 254.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C14H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVLTZSDVYKSYFP-ONEGZZNKSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -5.621 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.624 |
| Compound Name | Integrifoliolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1948359999999996 |
| Inchi | InChI=1S/C14H16O2/c1-12(2)9-11-16-14-7-5-13(6-8-14)4-3-10-15/h3-10H,11H2,1-2H3/b4-3+ |
| Smiles | CC(=CCOC1=CC=C(C=C1)/C=C/C=O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients