Cyclohexadienone, hydroxy-
PubChem CID: 440554
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| Compound Synonyms | Hydroxy cyclohexadienone, Cyclohexadienone, hydroxy-, 60766-01-0, ketophenol, keto phenol, keto-phenol, 6008-16-8, SCHEMBL2589077, SCHEMBL6325342, DTXSID10331498, OMDZIQQFRGDFAP-UHFFFAOYSA-N, 6-Hydroxy-2,4-cyclohexadien-1-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Deep Smiles | OCC=CC=CC6=O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxycyclohexa-2,4-dien-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H6O2 |
| Scaffold Graph Node Bond Level | O=C1C=CC=CC1 |
| Inchi Key | OMDZIQQFRGDFAP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | ketophenol |
| Esol Class | Very soluble |
| Functional Groups | CO, O=C1C=CC=CC1 |
| Compound Name | Cyclohexadienone, hydroxy- |
| Exact Mass | 110.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 110.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-5,7H |
| Smiles | C1=CC(C(=O)C=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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