zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate

C48H46O6Zn — CID 101328678

About zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate

zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate (PubChem CID 101328678) has the molecular formula C48H46O6Zn and a molecular weight of 784.28 g/mol. Its IUPAC name is zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate.

Molecular Properties

• Compound Name: zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate
• PubChem CID: 101328678
• Molecular Formula: C48H46O6Zn
• Molecular Weight: 784.28 g/mol
• Exact Mass: 782.26
• IUPAC Name: zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate
• SMILES: Cc1cc(C)c(Cc2ccc(Cc3cccc(O)c3C(=O)O)cc2)c(C)c1.Cc1cc(C)c(Cc2ccc(Cc3cccc([O-])c3C(=O)[O-])cc2)c(C)c1.[Zn+2]
• InChI: InChI=1S/2C24H24O3.Zn/c2*1-15-11-16(2)21(17(3)12-15)14-19-9-7-18(8-10-19)13-20-5-4-6-22(25)23(20)24(26)27;/h2*4-12,25H,13-14H2,1-3H3,(H,26,27);/q;;+2/p-2
• InChIKey: IFVFJVRGWOZBQV-UHFFFAOYSA-L
• XLogP: 8.43
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.28
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate?

The IUPAC name of zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate (CID 101328678) is zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate.

What is the SMILES notation for zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate?

The canonical SMILES for zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate is Cc1cc(C)c(Cc2ccc(Cc3cccc(O)c3C(=O)O)cc2)c(C)c1.Cc1cc(C)c(Cc2ccc(Cc3cccc([O-])c3C(=O)[O-])cc2)c(C)c1.[Zn+2].

What is the InChIKey of zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate?

The InChIKey is IFVFJVRGWOZBQV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H24O3.Zn/c2*1-15-11-16(2)21(17(3)12-15)14-19-9-7-18(8-10-19)13-20-5-4-6-22(25)23(20)24(26)27;/h2*4-12,25H,13-14H2,1-3H3,(H,26,27);/q;;+2/p-2.

What are the key properties of zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate?

zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate has a molecular weight of 784.28 g/mol, XLogP of 8.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate is sourced from PubChem (CID 101328678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).