4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

C35H42Cl4N4O7 — CID 11643484

About 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid (PubChem CID 11643484) has the molecular formula C35H42Cl4N4O7 and a molecular weight of 772.55 g/mol. Its IUPAC name is 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid.

Molecular Properties

• Compound Name: 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
• PubChem CID: 11643484
• Molecular Formula: C35H42Cl4N4O7
• Molecular Weight: 772.55 g/mol
• Exact Mass: 770.18
• IUPAC Name: 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
• SMILES: CCCCOc1ccc(OCCCN2CCOCC2)cc1.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
• InChI: InChI=1S/C18H14Cl4N2O.C17H27NO3.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;2-1(3)4/h1-8,11,18H,9-10H2;5-8H,2-4,9-15H2,1H3;(H,2,3,4)
• InChIKey: VUVNFYONAGPMDN-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 121.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.55
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid?

The IUPAC name of 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid (CID 11643484) is 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid.

What is the SMILES notation for 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid?

The canonical SMILES for 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid is CCCCOc1ccc(OCCCN2CCOCC2)cc1.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O.

What is the InChIKey of 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid?

The InChIKey is VUVNFYONAGPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N2O.C17H27NO3.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;2-1(3)4/h1-8,11,18H,9-10H2;5-8H,2-4,9-15H2,1H3;(H,2,3,4).

What are the key properties of 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid?

4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid has a molecular weight of 772.55 g/mol, XLogP of 9.07, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid is sourced from PubChem (CID 11643484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).