Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

268

Summary
Name:2-phenoxyethanol
Formula:C8 H10 O2
Formal charge:0
Formula weight:138.164 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-phenoxyethanol
OpenEye OEToolkits1.5.02-phenoxyethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccccc1)CCO
SMILES_CANONICALCACTVS3.341OCCOc1ccccc1
SMILESCACTVS3.341OCCOc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)OCCO
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)OCCO
InChIInChI1.03InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyInChI1.03QCDWFXQBSFUVSP-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

PDB statisticsPDBj update infoContact PDBjnumon