[2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium

C128H121I6O19S+7 — CID 159949568

About [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium

[2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium (PubChem CID 159949568) has the molecular formula C128H121I6O19S+7 and a molecular weight of 2756.85 g/mol. Its IUPAC name is [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium.

Molecular Properties

• Compound Name: [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium
• PubChem CID: 159949568
• Molecular Formula: C128H121I6O19S+7
• Molecular Weight: 2756.85 g/mol
• Exact Mass: 2755.25
• IUPAC Name: [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium
• SMILES: CC(C)(C)OC(=O)Cc1cccc([I+]c2ccccc2)c1.CCC1(OC(=O)COC(=O)COC(=O)Cc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2OC)CCCC1.COC(=O)Cc1ccccc1[I+]c1ccccc1.O=C(Cc1ccc([I+]c2ccccc2)cc1)OCc1ccccc1.O=C(O)Cc1ccc([I+]c2ccccc2)cc1.O=C(O)Cc1cccc([I+]c2ccccc2)c1.O=C(O)Cc1ccccc1[I+]c1ccccc1
• InChI: InChI=1S/C32H33O7S.C21H18IO2.C18H20IO2.C15H14IO2.3C14H11IO2/c1-3-32(16-8-9-17-32)39-31(35)21-38-30(34)20-37-29(33)19-22-18-23(14-15-26(22)36-2)40-27-12-6-4-10-24(27)25-11-5-7-13-28(25)40;23-21(24-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)22-19-9-5-2-6-10-19;1-18(2,3)21-17(20)13-14-8-7-11-16(12-14)19-15-9-5-4-6-10-15;1-18-15(17)11-12-7-5-6-10-14(12)16-13-8-3-2-4-9-13;16-14(17)10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12;16-14(17)10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12;16-14(17)10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h4-7,10-15,18H,3,8-9,16-17,19-21H2,1-2H3;1-14H,15-16H2;4-12H,13H2,1-3H3;2-10H,11H2,1H3;3*1-9H,10H2/q4*+1;;;/p+3
• InChIKey: OBXVSLSTRBMODI-UHFFFAOYSA-Q
• XLogP: 6.29
• TPSA: 278.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2756.85
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium?

The IUPAC name of [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium (CID 159949568) is [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium.

What is the SMILES notation for [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium?

The canonical SMILES for [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium is CC(C)(C)OC(=O)Cc1cccc([I+]c2ccccc2)c1.CCC1(OC(=O)COC(=O)COC(=O)Cc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2OC)CCCC1.COC(=O)Cc1ccccc1[I+]c1ccccc1.O=C(Cc1ccc([I+]c2ccccc2)cc1)OCc1ccccc1.O=C(O)Cc1ccc([I+]c2ccccc2)cc1.O=C(O)Cc1cccc([I+]c2ccccc2)c1.O=C(O)Cc1ccccc1[I+]c1ccccc1.

What is the InChIKey of [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium?

The InChIKey is OBXVSLSTRBMODI-UHFFFAOYSA-Q. The full InChI is InChI=1S/C32H33O7S.C21H18IO2.C18H20IO2.C15H14IO2.3C14H11IO2/c1-3-32(16-8-9-17-32)39-31(35)21-38-30(34)20-37-29(33)19-22-18-23(14-15-26(22)36-2)40-27-12-6-4-10-24(27)25-11-5-7-13-28(25)40;23-21(24-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)22-19-9-5-2-6-10-19;1-18(2,3)21-17(20)13-14-8-7-11-16(12-14)19-15-9-5-4-6-10-15;1-18-15(17)11-12-7-5-6-10-14(12)16-13-8-3-2-4-9-13;16-14(17)10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12;16-14(17)10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12;16-14(17)10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h4-7,10-15,18H,3,8-9,16-17,19-21H2,1-2H3;1-14H,15-16H2;4-12H,13H2,1-3H3;2-10H,11H2,1H3;3*1-9H,10H2/q4*+1;;;/p+3.

What are the key properties of [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium?

[2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium has a molecular weight of 2756.85 g/mol, XLogP of 6.29, 36 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(carboxymethyl)phenyl]-phenyliodanium;[3-(carboxymethyl)phenyl]-phenyliodanium;[4-(carboxymethyl)phenyl]-phenyliodanium;[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2-(5-dibenzothiophen-5-ium-5-yl-2-methoxyphenyl)acetate;[2-(2-methoxy-2-oxoethyl)phenyl]-phenyliodanium;[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-phenyliodanium;[4-(2-oxo-2-phenylmethoxyethyl)phenyl]-phenyliodanium is sourced from PubChem (CID 159949568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).