2-Hydroxy-1,4-benzoquinone
PubChem CID: 151011
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Hydroxy-1,4-benzoquinone, 2474-72-8, 2-Hydroxy-p-benzoquinone, 2-hydroxycyclohexa-2,5-diene-1,4-dione, Hydroxybenzoquinone, hydroxyquinone, hydroxy-1,4-benzoquinone, C7I5HV2JFI, 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-, UNII-C7I5HV2JFI, hydroxy-p-Benzoquinone, 4-Hydroxy-o-benzochinon, HYDROXYQUINONE [VANDF], SCHEMBL221723, SCHEMBL8663010, CHEBI:18400, DTXSID60179468, WLZ3725, 2-hydroxy-2,5-Cyclohexadiene-1,4-dione, C07103, Q5955500 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)CC1 |
| Deep Smiles | O=CC=CC=O)C=C6)O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCC(O)CC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxycyclohexa-2,5-diene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H4O3 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)C=C1 |
| Inchi Key | GPLIMIJPIZGPIF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | hydroxyquinone |
| Esol Class | Very soluble |
| Functional Groups | O=C1C=CC(=O)C(O)=C1 |
| Compound Name | 2-Hydroxy-1,4-benzoquinone |
| Exact Mass | 124.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.016 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 124.09 |
| 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/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| Smiles | C1=CC(=O)C(=CC1=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:ISBN:9780387706375