Ethene
PubChem CID: 122130015
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | Occcccc6.COcccccc6O.O=CCC=O.C=C.C=C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Phenols |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 277.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethene, 2-methoxyphenol, phenol, propanedial |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H26O5 |
| Inchi Key | JJKUCTOYZCODJZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | curcumin ii |
| Esol Class | Moderately soluble |
| Functional Groups | C=C, CC=O, cO, cOC |
| Compound Name | Ethene, 2-methoxyphenol, phenol, propanedial |
| Exact Mass | 346.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 346.4 |
| Gi Absorption | True |
| Covalent Unit Count | 5.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H8O2.C6H6O.C3H4O2.2C2H4/c1-9-7-5-3-2-4-6(7)8, 7-6-4-2-1-3-5-6, 4-2-1-3-5, 2*1-2/h2-5,8H,1H3, 1-5,7H, 2-3H,1H2, 2*1-2H2 |
| Smiles | COC1=CC=CC=C1O.C=C.C=C.C1=CC=C(C=C1)O.C(C=O)C=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Reference:ISBN:9788185042114