ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

There are no structural alerts for CHEMBL38934

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

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
ChEBI 39258
eMolecules 490982
FDA SRS 3O695R5M1U
Human Metabolome Database HMDB34446
IBM Patent System 3AAEF535F79C659F25BC559587AB4D8A
IBM Patents US6412468 US20030027862 US20030081871 EP1017768B2 WO2004082818A2 US20070111102 US20040116539 EP1500799B1 US7738829 US7625574 US4566959 WO1997040110A1 US4265834 US20020110764 WO2005084442A1 US5473090 US4170701 EP0882753B1 US20080142930 WO2003004759A1 US6699954 US4006089 EP1764415A1 WO2003099919A1 WO2003007076A2 US6262271 US20080051508 US4898863 WO2009138340A1 EP0566744A1 WO2008011953A1 US20060122435 US20050113541 WO2010088638A1 EP1334985B1 EP1686419A1 US20070197646 US4946965 WO2004085390A1 WO2000040637A1 EP0585747B2 EP0696298A1 US5035739 EP0616262B1 EP0848693A1 US20050260362 EP0621290A1 US20070077414 US7202198 EP0386920A2 WO2007026010A2 EP0408255B1 US4607020 EP1534842A2 EP0062968B2 WO1993007198A1 EP1586595A1 US4404139 EP1366037B1 US4399271 EP0733050A1 EP1637549B1 US6864317 EP1626999B1 US20050170408 US7750102 US7323475 WO1999067301A1 US4264777 EP1812541B1 US20040048390 US6579884 EP1698599A1 US4336241 US7435411 EP2102187A1 US20060210913 US4865735 EP0816363A1 US20040149834 EP2230230A1 EP1473314B1 EP0165753A2 US4096114 US4207224 US7527060 US20080153704 WO1997011152A1 EP1119539B1 US4200705 US20040265668 EP1648526B1 US5032427 US7256197 US5223384 EP0031257A2 US20100330505 US5213665 EP0919214B1 US5849767
Mcule MCULE-3010711232
MolPort MolPort-000-871-961
Nikkaji J3.598J
NMRShiftDB 30000632
PubChem 7583
PubChem: Thomson Pharma 14867504
SureChEMBL SCHEMBL12286
ZINC ZINC01504642

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