Dehydro-isoeugenol
PubChem CID: 129668758
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| Compound Synonyms | dehydro-isoeugenol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C/C=C/C=CC=CC#C6))O))OC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-dien-5-yn-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc#1 |
| Inchi Key | ZXZXBGGFZKIQHC-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | dehydroisoeugenol, isoeugenol dehydro |
| Esol Class | Very soluble |
| Functional Groups | c/C=C/C, cO, cOC |
| Compound Name | Dehydro-isoeugenol |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-4,7,11H,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC(=C(C#C1)O)OC |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
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