(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone

C103H75Br4I7O19 — CID 159924231

About (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 159924231) has the molecular formula C103H75Br4I7O19 and a molecular weight of 2824.66 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

• Compound Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
• PubChem CID: 159924231
• Molecular Formula: C103H75Br4I7O19
• Molecular Weight: 2824.66 g/mol
• Exact Mass: 2819.49
• IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
• SMILES: CC(C)Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.CCc1oc2cc(C)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1oc2ccc(O)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.Cc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1
• InChI: InChI=1S/C19H16I2O3.C18H14Br2O3.C17H12Br2O4.C17H12I2O3.C16H10I2O3.C16H11IO3/c1-10(2)7-16-17(12-5-3-4-6-15(12)24-16)18(22)11-8-13(20)19(23)14(21)9-11;1-3-14-16(11-5-4-9(2)6-15(11)23-14)17(21)10-7-12(19)18(22)13(20)8-10;1-2-13-15(10-7-9(20)3-4-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8;1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9;1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9;1-9-15(11-4-2-3-5-14(11)20-9)16(19)10-6-7-13(18)12(17)8-10/h3-6,8-10,23H,7H2,1-2H3;4-8,22H,3H2,1-2H3;3-7,20,22H,2H2,1H3;3-8,21H,2H2,1H3;2-7,20H,1H3;2-8,18H,1H3
• InChIKey: NYULODXEHXGMDR-UHFFFAOYSA-N
• XLogP: 31.02
• TPSA: 322.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2824.66
LogP ≤ 5	31.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?

The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone (CID 159924231) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone.

What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?

The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone is CC(C)Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.CCc1oc2cc(C)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1oc2ccc(O)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.Cc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1.

What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?

The InChIKey is NYULODXEHXGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16I2O3.C18H14Br2O3.C17H12Br2O4.C17H12I2O3.C16H10I2O3.C16H11IO3/c1-10(2)7-16-17(12-5-3-4-6-15(12)24-16)18(22)11-8-13(20)19(23)14(21)9-11;1-3-14-16(11-5-4-9(2)6-15(11)23-14)17(21)10-7-12(19)18(22)13(20)8-10;1-2-13-15(10-7-9(20)3-4-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8;1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9;1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9;1-9-15(11-4-2-3-5-14(11)20-9)16(19)10-6-7-13(18)12(17)8-10/h3-6,8-10,23H,7H2,1-2H3;4-8,22H,3H2,1-2H3;3-7,20,22H,2H2,1H3;3-8,21H,2H2,1H3;2-7,20H,1H3;2-8,18H,1H3.

What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 2824.66 g/mol, XLogP of 31.02, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 159924231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).