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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL76398
CHEMBL76398
Compound Name
ChEMBL Synonyms 4,4'-Hydroxybiphenyl
Max Phase 0
Trade Names
Molecular Formula C12H10O2

Additional synonyms for CHEMBL76398 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)c2ccc(O)cc2
Standard InChI InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1 ...
Download InChI
Standard InChI Key VCCBEIPGXKNHFW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL76398

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
186.2 186.0681 2.76 1 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.74 - 2.81 2.81 2 14 0.72

Structural Alerts

There are no structural alerts for CHEMBL76398

Compound Cross References

ChemSpider ChemSpider:VCCBEIPGXKNHFW-UHFFFAOYSA-N
PubChem SID: 144207667
Wikipedia 4,4%27-Biphenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL76398



ACToR 92-88-6
BindingDB 50121958
Brenda 214598 122991
ChEBI 34367
ChemicalBook CB7448740
eMolecules 484958
EPA CompTox Dashboard DTXSID1029120
FDA SRS R8994A0904
IBM Patent System 5592D25E5FC42521A0D358E4E011ABCB
KEGG Ligand C14297
Mcule MCULE-4939426452
MolPort MolPort-001-768-570
Nikkaji J45.978J
PDBe 4HB
PubChem 7112
PubChem: Thomson Pharma 15171428
SureChEMBL SCHEMBL15632
ZINC ZINC000000225528

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