2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)

C24H32Cl4N2O4V — CID 139168872

About 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)

2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+) (PubChem CID 139168872) has the molecular formula C24H32Cl4N2O4V and a molecular weight of 605.29 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+).

Molecular Properties

• Compound Name: 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)
• PubChem CID: 139168872
• Molecular Formula: C24H32Cl4N2O4V
• Molecular Weight: 605.29 g/mol
• Exact Mass: 603.06
• IUPAC Name: 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)
• SMILES: CC(C)[O-].CC(C)[O-].CN(C)CCN(Cc1cc(Cl)cc(Cl)c1[O-])Cc1cc(Cl)cc(Cl)c1[O-].[V+4]
• InChI: InChI=1S/C18H20Cl4N2O2.2C3H7O.V/c1-23(2)3-4-24(9-11-5-13(19)7-15(21)17(11)25)10-12-6-14(20)8-16(22)18(12)26;2*1-3(2)4;/h5-8,25-26H,3-4,9-10H2,1-2H3;2*3H,1-2H3;/q;2*-1;+4/p-2
• InChIKey: NCCOZNPLDPNNPK-UHFFFAOYSA-L
• XLogP: 3.52
• TPSA: 98.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.29
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)?

The IUPAC name of 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+) (CID 139168872) is 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+).

What is the SMILES notation for 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)?

The canonical SMILES for 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+) is CC(C)[O-].CC(C)[O-].CN(C)CCN(Cc1cc(Cl)cc(Cl)c1[O-])Cc1cc(Cl)cc(Cl)c1[O-].[V+4].

What is the InChIKey of 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)?

The InChIKey is NCCOZNPLDPNNPK-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H20Cl4N2O2.2C3H7O.V/c1-23(2)3-4-24(9-11-5-13(19)7-15(21)17(11)25)10-12-6-14(20)8-16(22)18(12)26;2*1-3(2)4;/h5-8,25-26H,3-4,9-10H2,1-2H3;2*3H,1-2H3;/q;2*-1;+4/p-2.

What are the key properties of 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)?

2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+) has a molecular weight of 605.29 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+) is sourced from PubChem (CID 139168872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).