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REV

Summary
Name:2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
Formula:C17 H20 O4
Formal charge:0
Formula weight:288.338 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
OpenEye OEToolkits1.9.22,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C
InChIInChI1.03InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1
InChIKeyInChI1.03PIKYYJHZIWYFFE-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CC[C@@H](c1ccccc1)c2cc(O)c(OC)c(OC)c2O
SMILESCACTVS3.385CC[CH](c1ccccc1)c2cc(O)c(OC)c(OC)c2O
SMILES_CANONICALOpenEye OEToolkits1.9.2CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O
SMILESOpenEye OEToolkits1.9.2CCC(c1ccccc1)c2cc(c(c(c2O)OC)OC)O

219140

PDB entries from 2024-05-01

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