2,5-Diphenyl-1,4-benzoquinone - ≥99% , CAS No.844-51-9

CAS: 844-51-9 Cat. No.: D137063 Molecular Weight: 260.29 Beilstein Registry Number: 7(3)4251 EC Number: 212-680-8

GRADE & PURITY ≥99%

Synonyms

844-51-9|2,5-Diphenyl-1,4-benzoquinone|2,5-Diphenyl-p-benzoquinone|2,5-Diphenylquinone|2,5-diphenylcyclohexa-2,5-diene-1,4-dione|2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl-|[1,1':4',1''-Terphenyl]-2',5'-dione|p-Benzoquinone, 2,5-diphenyl-|2,5-Diphenylbenz

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

844-51-9 | 2, 5-Diphenyl-1, 4-benzoquinone | 2, 5-Diphenyl-p-benzoquinone | 2, 5-Diphenylquinone | 2, 5-diphenylcyclohexa-2, 5-diene-1, 4-dione | 2, 5-Cyclohexadiene-1, 4-dione, 2, 5-diphenyl- | [1, 1':4', 1''-Terphenyl]-2', 5'-dione | p-Benzoquinone, 2, 5-diphenyl- | 2, 5-Diphenylbenz

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504754482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754482
• Canonical Smiles: C1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=CC=C3
• IUPAC Name: 2,5-diphenylcyclohexa-2,5-diene-1,4-dione
• InChIKey: QYXHDJJYVDLECA-UHFFFAOYSA-N
• INCHI: 1S/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=CC=C3
• Molecular Weight: 260.29
• Beilstein: 7(3)4251
• Reaxy-Rn: 2051812
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051812&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Benzene and substituted derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-benzoquinone - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SH-SY5Y (11521 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in hot Toluene (almost transparency).
• Melt Point(°C): 215-219°C
• Molecular Weight: 260.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.084 Da
• Monoisotopic Mass: 260.084 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 414.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu.  (2025)  Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus).  VETERINARY PARASITOLOGY,      [PMID:39837239] [10.1016/j.vetpar.2025.110401]