4-Hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
PubChem CID: 90475437
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2(CC1)CCC1CCCCC12 |
| Deep Smiles | COcccO)ccc6)CCC5C=CC=O)C=C6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indanes |
| Scaffold Graph Node Level | OC1CCC2(CC1)CCC1CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H14O3 |
| Scaffold Graph Node Bond Level | O=C1C=CC2(C=C1)CCc1ccccc12 |
| Inchi Key | LYSXDJPKAGMDNO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cannabispiradienone |
| Esol Class | Soluble |
| Functional Groups | O=C1C=CCC=C1, cO, cOC |
| Compound Name | 4-Hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H14O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h3-4,6-9,17H,2,5H2,1H3 |
| Smiles | COC1=CC2=C(C(=C1)O)C3(CC2)C=CC(=O)C=C3 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788172363130; ISBN:9788185042114