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W1G

Summary
Name:2-PHENOXY-5-(2-PROPENYL)PHENOL
Formula:C15 H14 O2
Formal charge:0
Formula weight:226.27 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-phenoxy-5-(prop-2-en-1-yl)phenol
OpenEye OEToolkits1.9.22-phenoxy-5-prop-2-enyl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c1ccccc1)c2ccc(cc2O)C\C=C
InChIInChI1.03InChI=1S/C15H14O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h2-5,7-11,16H,1,6H2
InChIKeyInChI1.03DBZGFSBCPYRHRA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(CC=C)ccc1Oc2ccccc2
SMILESCACTVS3.385Oc1cc(CC=C)ccc1Oc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.9.2C=CCc1ccc(c(c1)O)Oc2ccccc2
SMILESOpenEye OEToolkits1.9.2C=CCc1ccc(c(c1)O)Oc2ccccc2

223532

PDB entries from 2024-08-07

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