1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide

C120H116I14N4O23S — CID 162187149

About 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide

1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide (PubChem CID 162187149) has the molecular formula C120H116I14N4O23S and a molecular weight of 3790.98 g/mol. Its IUPAC name is 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide.

Molecular Properties

• Compound Name: 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide
• PubChem CID: 162187149
• Molecular Formula: C120H116I14N4O23S
• Molecular Weight: 3790.98 g/mol
• Exact Mass: 3789.44
• IUPAC Name: 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide
• SMILES: CC(=O)CCc1ccc(I)c(Oc2ccc(O)cc2)c1I.CCC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CCC(=O)CCc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1.CCCNC(=O)CCc1ccc(I)c(Oc2ccc(O)cc2)c1I.CCNC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CS(=O)(=O)NC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.O=C(CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)N1CCCCC1
• InChI: InChI=1S/C20H21I2NO3.C18H19I2NO3.C18H18I2O3.C17H16I2O3.C16H15I2NO3.C16H14I2O3.C15H13I2NO5S/c21-17-12-14(4-9-19(25)23-10-2-1-3-11-23)13-18(22)20(17)26-16-7-5-15(24)6-8-16;1-2-11-21-16(23)10-4-12-3-9-15(19)18(17(12)20)24-14-7-5-13(22)6-8-14;1-3-13(21)5-4-12-10-16(19)18(17(20)11-12)23-15-8-6-14(22-2)7-9-15;1-2-12(20)4-3-11-9-15(18)17(16(19)10-11)22-14-7-5-13(21)6-8-14;1-2-19-15(21)9-10-7-13(17)16(14(18)8-10)22-12-5-3-11(20)4-6-12;1-10(19)2-3-11-4-9-14(17)16(15(11)18)21-13-7-5-12(20)6-8-13;1-24(21,22)18-14(20)8-9-6-12(16)15(13(17)7-9)23-11-4-2-10(19)3-5-11/h5-8,12-13,24H,1-4,9-11H2;3,5-9,22H,2,4,10-11H2,1H3,(H,21,23);6-11H,3-5H2,1-2H3;5-10,21H,2-4H2,1H3;3-8,20H,2,9H2,1H3,(H,19,21);4-9,20H,2-3H2,1H3;2-7,19H,8H2,1H3,(H,18,20)
• InChIKey: ZPUPEJNWFRNDAV-UHFFFAOYSA-N
• XLogP: 33.10
• TPSA: 388.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3790.98
LogP ≤ 5	33.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide?

The IUPAC name of 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide (CID 162187149) is 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide.

What is the SMILES notation for 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide?

The canonical SMILES for 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide is CC(=O)CCc1ccc(I)c(Oc2ccc(O)cc2)c1I.CCC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CCC(=O)CCc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1.CCCNC(=O)CCc1ccc(I)c(Oc2ccc(O)cc2)c1I.CCNC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CS(=O)(=O)NC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.O=C(CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)N1CCCCC1.

What is the InChIKey of 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide?

The InChIKey is ZPUPEJNWFRNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21I2NO3.C18H19I2NO3.C18H18I2O3.C17H16I2O3.C16H15I2NO3.C16H14I2O3.C15H13I2NO5S/c21-17-12-14(4-9-19(25)23-10-2-1-3-11-23)13-18(22)20(17)26-16-7-5-15(24)6-8-16;1-2-11-21-16(23)10-4-12-3-9-15(19)18(17(12)20)24-14-7-5-13(22)6-8-14;1-3-13(21)5-4-12-10-16(19)18(17(20)11-12)23-15-8-6-14(22-2)7-9-15;1-2-12(20)4-3-11-9-15(18)17(16(19)10-11)22-14-7-5-13(21)6-8-14;1-2-19-15(21)9-10-7-13(17)16(14(18)8-10)22-12-5-3-11(20)4-6-12;1-10(19)2-3-11-4-9-14(17)16(15(11)18)21-13-7-5-12(20)6-8-13;1-24(21,22)18-14(20)8-9-6-12(16)15(13(17)7-9)23-11-4-2-10(19)3-5-11/h5-8,12-13,24H,1-4,9-11H2;3,5-9,22H,2,4,10-11H2,1H3,(H,21,23);6-11H,3-5H2,1-2H3;5-10,21H,2-4H2,1H3;3-8,20H,2,9H2,1H3,(H,19,21);4-9,20H,2-3H2,1H3;2-7,19H,8H2,1H3,(H,18,20).

What are the key properties of 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide?

1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide has a molecular weight of 3790.98 g/mol, XLogP of 33.10, 40 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]pentan-3-one;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetamide;4-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]butan-2-one;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-methylsulfonylacetamide;1-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]pentan-3-one;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylpropan-1-one;3-[3-(4-hydroxyphenoxy)-2,4-diiodophenyl]-N-propylpropanamide is sourced from PubChem (CID 162187149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).