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ChEMBL Statistics
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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
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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