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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL38934
CHEMBL38934
Compound Name DIPHENYLETHER
ChEMBL Synonyms 1-Phenoxybenzene
Max Phase 0
Trade Names
Molecular Formula C12H10O

Additional synonyms for CHEMBL38934 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Standard InChI Key USIUVYZYUHIAEV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL38934

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 3.39 2 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.14 4.14 2 13 0.67

Structural Alerts

There are no structural alerts for CHEMBL38934

Compound Cross References

ChemSpider ChemSpider:USIUVYZYUHIAEV-UHFFFAOYSA-N
PubChem SID: 144209475 SID: 144213094 SID: 17389615 SID: 26752966
Wikipedia Diphenyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL38934



ACToR 101-84-8 32576-61-7
Brenda 135970
ChEBI 39258
eMolecules 490982
EPA CompTox Dashboard DTXSID9021847
FDA SRS 3O695R5M1U
Human Metabolome Database HMDB0034446
IBM Patent System 3AAEF535F79C659F25BC559587AB4D8A
Mcule MCULE-3010711232
Metabolights MTBLC39258
MolPort MolPort-000-871-961
Nikkaji J3.598J
NMRShiftDB 30000632
PubChem 7583
PubChem: Thomson Pharma 14867504
SureChEMBL SCHEMBL12286
ZINC ZINC000001504642

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