Search MNXref
 Feedback

(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone

PropertiesImage
MNX_IDMNXM30546 Image of MNXM30546
referencechebi:79661
formulaC19H16I2O3
global charge0
mol weight546.142
InChIKeyPNFMEGSMKIHDFZ-UHFFFAOYSA-N
InChIInChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
SMILESCCCCC1=C(C(=O)C2=CC(I)=C(O)C(I)=C2)C2=C(C=CC=C2)O1
MNX internals
InChI (mnx)InChI=1/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3 Image of MNXM30546
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:7][C:16]1=[C:17]([C:18]([C:11]2=[CH:9][C:13]([I:20])=[C:19]([OH:23])[C:14]([I:21])=[CH:10]2)=[O:22])[C:12]2=[CH:6][CH:4]=[CH:5][CH:8]=[C:15]2[O:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd10837
seedM:cpd10837
CHEBI:79661
chebi:79661
kegg.compound:C15143
keggC:C15143
PNFMEGSMKIHDFZ-UHFFFAOYSA-M
PNFMEGSMKIHDFZ-UHFFFAOYSA-N
(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone

keggC:M_C15143
seedM:M_cpd10837
secondary/obsolete/fantasy identifier