2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol

C34H38N2O2 — CID 137099226

About 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol

2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol (PubChem CID 137099226) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol.

Molecular Properties

• Compound Name: 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
• PubChem CID: 137099226
• Molecular Formula: C34H38N2O2
• Molecular Weight: 506.69 g/mol
• Exact Mass: 506.29
• IUPAC Name: 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
• SMILES: Cc1cc(CC(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CC(C)C)cc(C)c2O)c1O
• InChI: InChI=1S/C34H38N2O2/c1-21(2)11-25-13-23(5)33(37)29(15-25)19-35-31-17-27-9-7-8-10-28(27)18-32(31)36-20-30-16-26(12-22(3)4)14-24(6)34(30)38/h7-10,13-22,37-38H,11-12H2,1-6H3/b35-19+,36-20+
• InChIKey: SZJFCAKRHRUYMX-CQFWSYKGSA-N
• XLogP: 8.77
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.69
LogP ≤ 5	8.77
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-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol?

The IUPAC name of 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol (CID 137099226) is 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol.

What is the SMILES notation for 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol?

The canonical SMILES for 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol is Cc1cc(CC(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CC(C)C)cc(C)c2O)c1O.

What is the InChIKey of 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol?

The InChIKey is SZJFCAKRHRUYMX-CQFWSYKGSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-21(2)11-25-13-23(5)33(37)29(15-25)19-35-31-17-27-9-7-8-10-28(27)18-32(31)36-20-30-16-26(12-22(3)4)14-24(6)34(30)38/h7-10,13-22,37-38H,11-12H2,1-6H3/b35-19+,36-20+.

What are the key properties of 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol?

2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol has a molecular weight of 506.69 g/mol, XLogP of 8.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol is sourced from PubChem (CID 137099226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).