dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol

C80H56F4K2O16S2 — CID 159749632

About dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol

dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol (PubChem CID 159749632) has the molecular formula C80H56F4K2O16S2 and a molecular weight of 1491.63 g/mol. Its IUPAC name is dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol.

Molecular Properties

• Compound Name: dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol
• PubChem CID: 159749632
• Molecular Formula: C80H56F4K2O16S2
• Molecular Weight: 1491.63 g/mol
• Exact Mass: 1490.22
• IUPAC Name: dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol
• SMILES: C#Cc1cc(C)cc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(OC)cc6)cc5)cc4)cc3)c(S(=O)(=O)[O-])c2)c1.C#Cc1cc(F)cc(F)c1.O=C(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)([O-])c1cc(O)ccc1O.Oc1ccc(-c2ccc(O)cc2)cc1.[K+].[K+]
• InChI: InChI=1S/C41H30O8S.C13H8F2O.C12H10O2.C8H4F2.C6H6O5S.2K/c1-4-28-23-27(2)24-38(25-28)48-37-21-22-39(40(26-37)50(43,44)45)49-36-19-11-32(12-20-36)41(42)31-9-17-35(18-10-31)47-34-15-7-30(8-16-34)29-5-13-33(46-3)14-6-29;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-3-7(9)5-8(10)4-6;7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1,5-26H,2-3H3,(H,43,44,45);1-8H;1-8,13-14H;1,3-5H;1-3,7-8H,(H,9,10,11);;/q;;;;;2*+1/p-2
• InChIKey: NDMHWBTZWIRVDT-UHFFFAOYSA-L
• XLogP: 11.08
• TPSA: 266.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.63
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol?

The IUPAC name of dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol (CID 159749632) is dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol.

What is the SMILES notation for dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol?

The canonical SMILES for dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol is C#Cc1cc(C)cc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(OC)cc6)cc5)cc4)cc3)c(S(=O)(=O)[O-])c2)c1.C#Cc1cc(F)cc(F)c1.O=C(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)([O-])c1cc(O)ccc1O.Oc1ccc(-c2ccc(O)cc2)cc1.[K+].[K+].

What is the InChIKey of dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol?

The InChIKey is NDMHWBTZWIRVDT-UHFFFAOYSA-L. The full InChI is InChI=1S/C41H30O8S.C13H8F2O.C12H10O2.C8H4F2.C6H6O5S.2K/c1-4-28-23-27(2)24-38(25-28)48-37-21-22-39(40(26-37)50(43,44)45)49-36-19-11-32(12-20-36)41(42)31-9-17-35(18-10-31)47-34-15-7-30(8-16-34)29-5-13-33(46-3)14-6-29;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-3-7(9)5-8(10)4-6;7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1,5-26H,2-3H3,(H,43,44,45);1-8H;1-8,13-14H;1,3-5H;1-3,7-8H,(H,9,10,11);;/q;;;;;2*+1/p-2.

What are the key properties of dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol?

dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol has a molecular weight of 1491.63 g/mol, XLogP of 11.08, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;bis(4-fluorophenyl)methanone;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-ethynyl-5-methylphenoxy)-2-[4-[4-[4-(4-methoxyphenyl)phenoxy]benzoyl]phenoxy]benzenesulfonate;4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 159749632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).