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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1229846
CHEMBL1229846
Compound Name 2-PHENOXYETHANOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H10O2

Additional synonyms for CHEMBL1229846 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCOc1ccccc1
Standard InChI InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Standard InChI Key QCDWFXQBSFUVSP-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL1229846

Alternate Forms of Compound in ChEMBL


CHEMBL1229846

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
138.2 138.0681 1.27 3 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.25 1.25 1 10 0.68

Compound Cross References

ChemSpider ChemSpider:QCDWFXQBSFUVSP-UHFFFAOYSA-N
PubChem SID: 144204553 SID: 144209309 SID: 144211159 SID: 17389580 SID: 26752767 SID: 26752768 SID: 56463731
Wikipedia Phenoxyethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1229846



ACToR 134367-25-2 122-99-6
ChEBI 64275
eMolecules 478248
FDA SRS HIE492ZZ3T
Human Metabolome Database HMDB41607
IBM Patent System 8D26AFF1B8723A656A60AE847345291A
IBM Patents US20060110414 EP1900800A2 US20080227894 EP2193778A1 US20100144883 EP0285829A1 US20070274932 US20060265817 EP1803660A1 EP1856181A1 EP1331921A2 WO2004093844A1 EP1504746A1 WO2003075883A1 WO2001010999A1 US4237125 EP0302516A2 WO2007014848A2 US7799736 US6024895 US20040171149 EP0045617A2 US20030152610 US6949670 WO2004043329A2 WO2010102886A1 US6930698 US20090009061 WO2005089751A2 WO2004034958A2 US7718635 EP1132770B1 US20080027142 EP1625150B9 US20020076743 US4126597 EP1397119A2 US6001136 EP0580532B1 US5753245 US20080145624 EP2249805A1 US6764816 US5283161 US20090102907 WO1999017727A1 US20100330010 EP1239890B1 US20070122370 US20040087453 US20050019293 US20050089539 US20060292371 EP1787687A1 WO2009015366A2 US20080194708 EP0904343B1 EP1166761A1 WO2007084386A1 WO2008028775A1 US20090214586 US3969302 US20040146479 US5904918 EP0968076B1 WO2009098257A1 WO2006059126A1 US7550485 WO2007113069A1 US4970066 US5362613 EP1866362A1 US7182949 WO2010127918A2 WO2004084936A2 WO2004058162A2 EP1846010A1 EP1309862A1 EP1315509A2 WO2007059822A1 WO2002055644A2 EP0780116B1 US20100183524 US20090062402 US20100209407 US6440431 US20020058216 US20040185070 WO2005042829A1 WO2005034900A1 US20070185057 US20050265948 WO2009026009A1 US7468462 US5942372 EP1476530A1 WO2004066918A2 EP1875895A1 EP0497266B1 US5945460
Mcule MCULE-1828011376
MolPort MolPort-001-768-719
Nikkaji J5.360K
NMRShiftDB 10006089
PDBe 268
PubChem 31236
PubChem: Thomson Pharma 14747741
SureChEMBL SCHEMBL15708
ZINC ZINC01577061

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