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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 US4882410 US5235008 US5008334 EP0573573A1 US5227452 EP0475238A2 EP0416082B1 EP0193187A1 US4349659 WO1994017985A1 US5021541 EP0610912A3 US5962621 US5286817 US5106936 EP0289802B1 EP0194062A2 EP0596129B1 EP0301332B1 US5454910 EP0093194A2 US5756781 US4276369 US5623004 US5364912 US4521511 EP0305214A2 US5342904 US5153306 US5045626 WO1994005276A1 EP0075389A1 EP0614926B1 EP0473935A2 US6051294 US5208299 US4448948 WO1999058013A1 US4962163 EP0417775B2 US6018055 US5391691 US4939199 US4638044 US5270404 US5064580 US4542203 EP0745154B1 EP0583888A1 US4820790 US5599628 US5015778 US4105635 US4206100 US5969167 EP0591984B1 US5164464 WO1997048677A1 EP0306051B1 EP0395346B1 US4431767 US4232143 WO2000032158A1 EP0103784A2 US4113698 EP0428178A2 US5296570 US4731429 EP0596129A1 US4713435 US4757126 US5951714 US5428090 EP0558376B1 EP0379058B1 US4539370 US4868316 EP0133236A2 US4110314 US4741955 EP0199020B1 US6011111 EP0428178B1 US4997903 EP0420662B1 US5407748 EP0242959A2 US5043112 US6010773 EP0264792B1 US6040484 EP0333002A2 EP0606183B1 EP0227043A2 EP0361469B1 US5405701 EP0220737B1 US5250655 US5993971 US5527875
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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