2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol

C34H44N2O2 — CID 137108335

About 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol

2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol (PubChem CID 137108335) has the molecular formula C34H44N2O2 and a molecular weight of 512.74 g/mol. Its IUPAC name is 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol.

Molecular Properties

• Compound Name: 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
• PubChem CID: 137108335
• Molecular Formula: C34H44N2O2
• Molecular Weight: 512.74 g/mol
• Exact Mass: 512.34
• IUPAC Name: 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
• SMILES: CC(C)Cc1cc(/C=N\c2ccccc2/N=C/c2cc(CC(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1
• InChI: InChI=1S/C34H44N2O2/c1-21(2)13-25-15-27(33(37)29(17-25)23(5)6)19-35-31-11-9-10-12-32(31)36-20-28-16-26(14-22(3)4)18-30(24(7)8)34(28)38/h9-12,15-24,37-38H,13-14H2,1-8H3/b35-19-,36-20+
• InChIKey: SECHZIWIBPQCIE-HVCCMGDBSA-N
• XLogP: 9.24
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.74
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol?

The IUPAC name of 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol (CID 137108335) is 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol.

What is the SMILES notation for 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol?

The canonical SMILES for 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol is CC(C)Cc1cc(/C=N\c2ccccc2/N=C/c2cc(CC(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1.

What is the InChIKey of 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol?

The InChIKey is SECHZIWIBPQCIE-HVCCMGDBSA-N. The full InChI is InChI=1S/C34H44N2O2/c1-21(2)13-25-15-27(33(37)29(17-25)23(5)6)19-35-31-11-9-10-12-32(31)36-20-28-16-26(14-22(3)4)18-30(24(7)8)34(28)38/h9-12,15-24,37-38H,13-14H2,1-8H3/b35-19-,36-20+.

What are the key properties of 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol?

2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol has a molecular weight of 512.74 g/mol, XLogP of 9.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol is sourced from PubChem (CID 137108335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).