zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate

C30H30N2O6Zn — CID 139175016

About zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate

zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate (PubChem CID 139175016) has the molecular formula C30H30N2O6Zn and a molecular weight of 579.97 g/mol. Its IUPAC name is zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate.

Molecular Properties

• Compound Name: zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate
• PubChem CID: 139175016
• Molecular Formula: C30H30N2O6Zn
• Molecular Weight: 579.97 g/mol
• Exact Mass: 578.14
• IUPAC Name: zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate
• SMILES: CO.CO.[O-]c1ccccc1/N=C\c1ccccc1OCCOc1ccccc1/C=N\c1ccccc1[O-].[Zn+2]
• InChI: InChI=1S/C28H24N2O4.2CH4O.Zn/c31-25-13-5-3-11-23(25)29-19-21-9-1-7-15-27(21)33-17-18-34-28-16-8-2-10-22(28)20-30-24-12-4-6-14-26(24)32;2*1-2;/h1-16,19-20,31-32H,17-18H2;2*2H,1H3;/q;;;+2/p-2/b29-19-,30-20-
• InChIKey: NUFXRAPMAXELGI-JDQOAFGQSA-L
• XLogP: 4.01
• TPSA: 129.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.97
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate?

The IUPAC name of zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate (CID 139175016) is zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate.

What is the SMILES notation for zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate?

The canonical SMILES for zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate is CO.CO.[O-]c1ccccc1/N=C\c1ccccc1OCCOc1ccccc1/C=N\c1ccccc1[O-].[Zn+2].

What is the InChIKey of zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate?

The InChIKey is NUFXRAPMAXELGI-JDQOAFGQSA-L. The full InChI is InChI=1S/C28H24N2O4.2CH4O.Zn/c31-25-13-5-3-11-23(25)29-19-21-9-1-7-15-27(21)33-17-18-34-28-16-8-2-10-22(28)20-30-24-12-4-6-14-26(24)32;2*1-2;/h1-16,19-20,31-32H,17-18H2;2*2H,1H3;/q;;;+2/p-2/b29-19-,30-20-;;;.

What are the key properties of zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate?

zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate has a molecular weight of 579.97 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate is sourced from PubChem (CID 139175016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).