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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108829
CHEMBL108829
Compound Name 2-PHENYLPHENOL
ChEMBL Synonyms E231 | E232
Max Phase 0
Trade Names
Molecular Formula C12H10O

Additional synonyms for CHEMBL108829 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccccc1c2ccccc2
Standard InChI InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,1 ...
Download InChI
Standard InChI Key LLEMOWNGBBNAJR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL108829

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
170.2 170.0732 3.11 1 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10 - 3.29 3.29 2 13 0.7

Structural Alerts

There are no structural alerts for CHEMBL108829

Compound Cross References

ChemSpider ChemSpider:LLEMOWNGBBNAJR-UHFFFAOYSA-N
PubChem SID: 144209613 SID: 144210991 SID: 17389756 SID: 26753065 SID: 26753066
Wikipedia 2-Phenylphenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108829



ACToR 61788-42-9 90-43-7 192076-92-9
BindingDB 50308551
Brenda 57806 3053
ChEBI 17043
DrugCentral 4768
eMolecules 509943
EPA CompTox Dashboard DTXSID2021151
FDA SRS D343Z75HT8
Human Metabolome Database HMDB0032582
IBM Patent System 7B5F9D25BDD8C6FC2AC2E7CC93793746
KEGG Ligand C02499
Mcule MCULE-6514278919
MolPort MolPort-000-139-927
Nikkaji J3.555F
NMRShiftDB 10018776
PDBe CH9
PubChem 7017
PubChem: Thomson Pharma 15321883
Rhea 17043
SureChEMBL SCHEMBL29811
ZINC ZINC000000968134

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