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JPL

Summary
Name:5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
Formula:C19 H20 Cl2 O2
Formal charge:0
Formula weight:351.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
OpenEye OEToolkits1.7.62-[2,4-bis(chloranyl)phenoxy]-5-(cyclohexylmethyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(O)c(Oc1c(Cl)cc(cc1)Cl)ccc(CC2CCCCC2)c3
InChIInChI1.03InChI=1S/C19H20Cl2O2/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/h6-9,11-13,22H,1-5,10H2
InChIKeyInChI1.03AUJNRGORQMIJCP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl
SMILESCACTVS3.385Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl

218500

PDB entries from 2024-04-17

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