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5HW

Summary
Name:4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol
Formula:C20 H22 O2
Formal charge:0
Formula weight:294.387 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol
OpenEye OEToolkits1.9.24-[(4-hydroxyphenyl)-[(3R)-3-methylcyclohexylidene]methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)C
InChIInChI1.03InChI=1S/C20H22O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,21-22H,2-4,13H2,1H3/t14-/m1/s1
InChIKeyInChI1.03QUCLTMSWCMCJJC-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385C[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1
SMILESOpenEye OEToolkits1.9.2CC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1

219869

PDB entries from 2024-05-15

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