Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1AYI

Summary
Name:(2-phenoxyphenyl)methanol
Formula:C13 H12 O2
Formal charge:0
Formula weight:200.233 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-phenoxyphenyl)methanol
OpenEye OEToolkits2.0.7(2-phenoxyphenyl)methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCc1ccccc1Oc1ccccc1
InChIInChI1.06InChI=1S/C13H12O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2
InChIKeyInChI1.06VMZBMTWFHYYOIN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1ccccc1Oc2ccccc2
SMILESCACTVS3.385OCc1ccccc1Oc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccccc2CO
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccccc2CO

247947

PDB entries from 2026-01-21

PDB statisticsPDBj update infoContact PDBjnumon