HXS

?

Summary

Name:4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
Formula:C18 H22 O2
Formal charge:0
Molecular weight:270.366 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
OpenEye OEToolkits1.5.04-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccc(cc1)C(C(c2ccc(O)cc2)CC)CC
SMILES_CANONICALCACTVS3.341CC[C@H]([C@H](CC)c1ccc(O)cc1)c2ccc(O)cc2
SMILESCACTVS3.341CC[CH]([CH](CC)c1ccc(O)cc1)c2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O
SMILESOpenEye OEToolkits1.5.0CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O
InChIInChI1.03InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
InChIKeyInChI1.03PBBGSZCBWVPOOL-HDICACEKSA-N
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2018 Protein Data Bank Japan