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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

Structural Alerts

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

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

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
BindinDB 25807
DrugBank DB07635
eMolecules 502601
FDA SRS HZR7D31SBY
IBM Patent System 4B7E031466D457AF941B123189E4A707
IBM Patents WO2008002734A2 WO2001002449A2 EP0257555B1 US7713449 US5250652 EP0057595A1 EP0199087A1 US4937297 US7119081 US5445755 US4183890 US7220294 EP0416082B1 US4668744 US4588805 US5206321 EP1007644A1 US5714641 EP0893477A2 US5360829 EP1268648A1 EP1674929A1 US20090104448 EP0153449A2 US5902473 EP1361251A1 US4654412 EP1122340B1 US20090005503 US20080221259 EP0754200B1 EP0997777A1 US5068284 US4908419 US7273917 EP1940957A1 US20070059643 WO2008150737A1 US4130518 EP0870625B1 EP0979843A3 EP0584186A1 WO2005089214A2 WO2000000030A1 US6475700 US6403690 EP0700940B1 EP1900393A2 US5334661 EP0943653B1 EP1389514A8 US7812078 US20070184323 US5194653 EP0143988B1 EP0643096A1 US20070213437 EP1304358A2 US4560740 US5925725 US4001101 EP1973969A1 EP0044193A1 EP0794236B1 US3337498 US6790928 EP1740638B1 EP2222808A2 WO2002022701A2 US5605984 US4680372 US7071285 US5719225 EP1026205B1 US6476101 US4902416 US4027086 US4225478 EP0957132B1 EP1458813A1 EP1673384A2 US20080176088 US4433131 WO2008052669A2 US20080113948 EP1653541A1 US20090069489 US20100075251 US20090054614 EP0578832B1 US20040230084 EP1047728A1 WO2002055582A2 EP1788433A2 US4169178 WO2001034703A1 EP0799845A2 EP1773940A1 EP0267369A2 US20050085597
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 ZINC00028449

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