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JPJ

Summary
Name:2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL
Formula:C20 H16 Cl2 O2
Formal charge:0
Formula weight:359.246 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
OpenEye OEToolkits1.5.02-(2,4-dichlorophenoxy)-5-phenethyl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCc2ccccc2
SMILES_CANONICALCACTVS3.341Oc1cc(CCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
SMILESCACTVS3.341Oc1cc(CCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChIInChI1.03InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2
InChIKeyInChI1.03SOSAEWQXZFTNAQ-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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