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JPM

Summary
Name:5-benzyl-2-(2,4-dichlorophenoxy)phenol
Formula:C19 H14 Cl2 O2
Formal charge:0
Formula weight:345.219 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-benzyl-2-(2,4-dichlorophenoxy)phenol
OpenEye OEToolkits1.5.02-(2,4-dichlorophenoxy)-5-(phenylmethyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(Cl)ccc3Oc1ccc(cc1O)Cc2ccccc2
SMILES_CANONICALCACTVS3.341Oc1cc(Cc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
SMILESCACTVS3.341Oc1cc(Cc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChIInChI1.03InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
InChIKeyInChI1.03LUMKUDPYQGEIPU-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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