cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate

C33H40CoN2O7 — CID 173033897

About cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate

cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate (PubChem CID 173033897) has the molecular formula C33H40CoN2O7 and a molecular weight of 635.62 g/mol. Its IUPAC name is cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate
• PubChem CID: 173033897
• Molecular Formula: C33H40CoN2O7
• Molecular Weight: 635.62 g/mol
• Exact Mass: 635.22
• IUPAC Name: cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C/c2cc(C(C)C)cc(C)c2O)c(/N=C/c2cc(C(C)C)cc(C)c2O)c1.[Co+2]
• InChI: InChI=1S/C29H34N2O3.2C2H4O2.Co/c1-17(2)21-10-19(5)28(32)23(12-21)15-30-26-9-8-25(34-7)14-27(26)31-16-24-13-22(18(3)4)11-20(6)29(24)33;2*1-2(3)4;/h8-18,32-33H,1-7H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-15+,31-16+
• InChIKey: KJULMJQTVBNEPJ-YLECMFMHSA-L
• XLogP: 4.98
• TPSA: 154.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.62
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate?

The IUPAC name of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate (CID 173033897) is cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate.

What is the SMILES notation for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate?

The canonical SMILES for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C/c2cc(C(C)C)cc(C)c2O)c(/N=C/c2cc(C(C)C)cc(C)c2O)c1.[Co+2].

What is the InChIKey of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate?

The InChIKey is KJULMJQTVBNEPJ-YLECMFMHSA-L. The full InChI is InChI=1S/C29H34N2O3.2C2H4O2.Co/c1-17(2)21-10-19(5)28(32)23(12-21)15-30-26-9-8-25(34-7)14-27(26)31-16-24-13-22(18(3)4)11-20(6)29(24)33;2*1-2(3)4;/h8-18,32-33H,1-7H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-15+,31-16+;;;.

What are the key properties of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate?

cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate has a molecular weight of 635.62 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate is sourced from PubChem (CID 173033897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).