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PFL

Summary
Name:2,6-BIS(1-METHYLETHYL)PHENOL
Synonyms:2,6-DIISOPROPYLPHENOL
PROPOFOL
Formula:C12 H18 O
Formal charge:0
Formula weight:178.271 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,6-bis(1-methylethyl)phenol
OpenEye OEToolkits1.5.02,6-di(propan-2-yl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1c(cccc1C(C)C)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)c1cccc(C(C)C)c1O
SMILESCACTVS3.341CC(C)c1cccc(C(C)C)c1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)c1cccc(c1O)C(C)C
SMILESOpenEye OEToolkits1.5.0CC(C)c1cccc(c1O)C(C)C
InChIInChI1.03InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyInChI1.03OLBCVFGFOZPWHH-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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