Hofmeisterin II
PubChem CID: 14107494
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hofmeisterin II, 1,4-bis(2-hydroxy-4-methylphenyl)butane-1,4-dione, CHEBI:67436, Q27135901 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-bis(2-hydroxy-4-methylphenyl)butane-1,4-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Is Pains | False |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCMZMLWIPPPAOG-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Hofmeisterin II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.264431963636363 |
| Inchi | InChI=1S/C18H18O4/c1-11-3-5-13(17(21)9-11)15(19)7-8-16(20)14-6-4-12(2)10-18(14)22/h3-6,9-10,21-22H,7-8H2,1-2H3 |
| Smiles | CC1=CC(=C(C=C1)C(=O)CCC(=O)C2=C(C=C(C=C2)C)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Cannabinum (Plant) Rel Props:Source_db:cmaup_ingredients