[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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid

C131H147Br2Cl10FN2O35P7S2+ — CID 161188272

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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid (PubChem CID 161188272) has the molecular formula C131H147Br2Cl10FN2O35P7S2+ and a molecular weight of 3123.88 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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid
• PubChem CID: 161188272
• Molecular Formula: C131H147Br2Cl10FN2O35P7S2+
• Molecular Weight: 3123.88 g/mol
• Exact Mass: 3115.26
• 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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid
• SMILES: C=S(=O)(c1cc(Oc2c(Cl)cc(CP(=O)(O)O)cc2Cl)ccc1O)N1CCCCC1.CC(C)c1cc(Oc2c(Br)cc(OCP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(C[P+](C)(O)O)cc2Cl)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(OCP(C)(=O)O)cc2Cl)ccc1O.Cc1cc(CCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.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/C21H29O3P.C20H16Cl2FO5P.C20H22Cl2NO7PS.C19H22Cl2NO6PS.C17H19Br2O5P.C17H19Cl2O5P.C17H19Cl2O4P/c1-14(2)19-12-17(6-7-21(19)22)13-20-15(3)10-18(11-16(20)4)8-9-25(5,23)24;21-17-8-13(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;1-30(27,22-7-3-2-4-8-22)18-11-14(5-6-17(18)23)28-19-15(20)9-13(10-16(19)21)12-29(24,25)26;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;1-10(2)13-8-12(4-5-16(13)20)23-17-14(18)6-11(7-15(17)19)9-24(3,21)22/h6-7,10-12,14,22H,8-9,13H2,1-5H3,(H,23,24);1-6,8-10,24H,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);5-6,9-11,23H,1-4,7-8,12H2,(H2,24,25,26);2*4-8,10,20H,9H2,1-3H3,(H,21,22);4-8,10,21-22H,9H2,1-3H3/p+1
• InChIKey: ANTLNXQKDAPPMD-UHFFFAOYSA-O
• XLogP: 37.84
• TPSA: 606.88 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3123.88
LogP ≤ 5	37.84
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', '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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid (CID 161188272) 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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid is C=S(=O)(c1cc(Oc2c(Cl)cc(CP(=O)(O)O)cc2Cl)ccc1O)N1CCCCC1.CC(C)c1cc(Oc2c(Br)cc(OCP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(C[P+](C)(O)O)cc2Cl)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(OCP(C)(=O)O)cc2Cl)ccc1O.Cc1cc(CCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid?

The InChIKey is ANTLNXQKDAPPMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29O3P.C20H16Cl2FO5P.C20H22Cl2NO7PS.C19H22Cl2NO6PS.C17H19Br2O5P.C17H19Cl2O5P.C17H19Cl2O4P/c1-14(2)19-12-17(6-7-21(19)22)13-20-15(3)10-18(11-16(20)4)8-9-25(5,23)24;21-17-8-13(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;1-30(27,22-7-3-2-4-8-22)18-11-14(5-6-17(18)23)28-19-15(20)9-13(10-16(19)21)12-29(24,25)26;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;1-10(2)13-8-12(4-5-16(13)20)23-17-14(18)6-11(7-15(17)19)9-24(3,21)22/h6-7,10-12,14,22H,8-9,13H2,1-5H3,(H,23,24);1-6,8-10,24H,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);5-6,9-11,23H,1-4,7-8,12H2,(H2,24,25,26);2*4-8,10,20H,9H2,1-3H3,(H,21,22);4-8,10,21-22H,9H2,1-3H3/p+1.

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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid has a molecular weight of 3123.88 g/mol, XLogP of 37.84, 42 rotatable bonds, 19 hydrogen bond donors, and 26 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-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid is sourced from PubChem (CID 161188272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).