PEL

2-PHENYL-ETHANOL

Created: 2000-06-13
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of PEL
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-PHENYL-ETHANOL
Systematic Name (OpenEye OEToolkits)2-phenylethanol
FormulaC8 H10 O
Molecular Weight122.164
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCCc1ccccc1
SMILESCACTVS3.341OCCc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCO
Canonical SMILESCACTVS3.341 OCCc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)CCO
InChIInChI1.03 InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyInChI1.03 WRMNZCZEMHIOCP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02192 
NamePhenylethyl alcohol
Groups experimental
DescriptionAn antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.
Synonyms
  • Phenylethanol
  • Phenethyl alcohol
  • Benzeneethanol
  • Phenylethyl alcohol
  • 2-phenylethanol
Categories
  • Alcohols
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Compounds used in a research, industrial, or household setting
  • Disinfectants
CAS number60-12-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Parathion hydrolaseMQTRRVVLKSAAAAGTLLGGLAGCASVAGSIGTGDRINTVRGPITISEAG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6054
ChEMBL CHEMBL448500
ChEBI CHEBI:49000
CCDC/CSD LANTUS, FAGPEL