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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL194859
CHEMBL194859
Compound Name
ChEMBL Synonyms 4,4-Dihydroxybenzophenone | 4,4'-Dihydroxybenzophenone
Max Phase 0
Trade Names
Molecular Formula C13H10O3

Additional synonyms for CHEMBL194859 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C(=O)c2ccc(O)cc2
Standard InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4 ...
Download InChI
Standard InChI Key RXNYJUSEXLAVNQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL194859

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
214.2 214.063 2.75 2 57.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.67 - 2.64 2.44 2 16 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL194859. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RXNYJUSEXLAVNQ-UHFFFAOYSA-N
PubChem SID: 144207748
Wikipedia 4,4%27-Dihydroxybenzophenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL194859



ACToR 611-99-4
BindingDB 25807
Brenda 143425
ChEBI 34365
DrugBank DB07635
eMolecules 502601
EPA CompTox Dashboard DTXSID1022425
FDA SRS HZR7D31SBY
IBM Patent System 4B7E031466D457AF941B123189E4A707
KEGG Ligand C14220
Mcule MCULE-2438326501
MolPort MolPort-002-317-260
Nikkaji J39.681H
PDBe DBE
PubChem 69150
PubChem: Thomson Pharma 15414643
SureChEMBL SCHEMBL18423
ZINC ZINC000000028449

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RXNYJUSEXLAVNQ-UHFFFAOYSA-N spacer
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