[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid

C107H110Br2Cl6FI5N2O32P6S2 — CID 161482088

About [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid

[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid (PubChem CID 161482088) has the molecular formula C107H110Br2Cl6FI5N2O32P6S2 and a molecular weight of 3212.06 g/mol. Its IUPAC name is [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid.

Molecular Properties

• Compound Name: [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid
• PubChem CID: 161482088
• Molecular Formula: C107H110Br2Cl6FI5N2O32P6S2
• Molecular Weight: 3212.06 g/mol
• Exact Mass: 3205.66
• IUPAC Name: [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid
• SMILES: CC(C)c1cc(Oc2c(Br)cc(OCP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(I)cc(OCP(C)(=O)O)cc2I)ccc1O.CP(=O)(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.Cc1ccc(Oc2c(Cl)cc(CP(=O)(O)O)cc2Cl)cc1S(=O)(=O)N1CCCCC1.O=P(O)(O)Cc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1.O=P(O)(O)Cc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC4CCC3C4)c2)c(Cl)c1
• InChI: InChI=1S/C20H16Cl2FO5P.C20H22Cl2NO7PS.C19H22Cl2NO6PS.C17H19Br2O5P.C17H19I2O5P.C14H12I3O4P/c21-17-8-13(11-29(25,26)27)9-18(22)20(17)28-16-5-6-19(24)14(10-16)7-12-1-3-15(23)4-2-12;21-15-6-12(10-31(25,26)27)7-16(22)20(15)30-14-3-4-18(24)19(9-14)32(28,29)23-17-8-11-1-2-13(17)5-11;1-13-5-6-15(11-18(13)30(26,27)22-7-3-2-4-8-22)28-19-16(20)9-14(10-17(19)21)12-29(23,24)25;2*1-10(2)13-6-11(4-5-16(13)20)24-17-14(18)7-12(8-15(17)19)23-9-25(3,21)22;1-22(19,20)7-8-4-11(16)14(12(17)5-8)21-9-2-3-13(18)10(15)6-9/h1-6,8-10,24H,7,11H2,(H2,25,26,27);3-4,6-7,9,11,13,17,23-24H,1-2,5,8,10H2,(H2,25,26,27);5-6,9-11H,2-4,7-8,12H2,1H3,(H2,23,24,25);2*4-8,10,20H,9H2,1-3H3,(H,21,22);2-6,18H,7H2,1H3,(H,19,20)
• InChIKey: WEMOAUUVWFBUCV-UHFFFAOYSA-N
• XLogP: 32.70
• TPSA: 543.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3212.06
LogP ≤ 5	32.70
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid?

The IUPAC name of [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid (CID 161482088) is [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid.

What is the SMILES notation for [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid?

The canonical SMILES for [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid is CC(C)c1cc(Oc2c(Br)cc(OCP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(I)cc(OCP(C)(=O)O)cc2I)ccc1O.CP(=O)(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.Cc1ccc(Oc2c(Cl)cc(CP(=O)(O)O)cc2Cl)cc1S(=O)(=O)N1CCCCC1.O=P(O)(O)Cc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1.O=P(O)(O)Cc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC4CCC3C4)c2)c(Cl)c1.

What is the InChIKey of [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid?

The InChIKey is WEMOAUUVWFBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FO5P.C20H22Cl2NO7PS.C19H22Cl2NO6PS.C17H19Br2O5P.C17H19I2O5P.C14H12I3O4P/c21-17-8-13(11-29(25,26)27)9-18(22)20(17)28-16-5-6-19(24)14(10-16)7-12-1-3-15(23)4-2-12;21-15-6-12(10-31(25,26)27)7-16(22)20(15)30-14-3-4-18(24)19(9-14)32(28,29)23-17-8-11-1-2-13(17)5-11;1-13-5-6-15(11-18(13)30(26,27)22-7-3-2-4-8-22)28-19-16(20)9-14(10-17(19)21)12-29(23,24)25;2*1-10(2)13-6-11(4-5-16(13)20)24-17-14(18)7-12(8-15(17)19)23-9-25(3,21)22;1-22(19,20)7-8-4-11(16)14(12(17)5-8)21-9-2-3-13(18)10(15)6-9/h1-6,8-10,24H,7,11H2,(H2,25,26,27);3-4,6-7,9,11,13,17,23-24H,1-2,5,8,10H2,(H2,25,26,27);5-6,9-11H,2-4,7-8,12H2,1H3,(H2,23,24,25);2*4-8,10,20H,9H2,1-3H3,(H,21,22);2-6,18H,7H2,1H3,(H,19,20).

What are the key properties of [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid?

[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid has a molecular weight of 3212.06 g/mol, XLogP of 32.70, 35 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-methyl-3-piperidin-1-ylsulfonylphenoxy)phenyl]methylphosphonic acid;[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl-methylphosphinic acid is sourced from PubChem (CID 161482088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).