2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol

C30H30N2O2 — CID 137071368

About 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol

2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol (PubChem CID 137071368) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol.

Molecular Properties

• Compound Name: 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
• PubChem CID: 137071368
• Molecular Formula: C30H30N2O2
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.23
• IUPAC Name: 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
• SMILES: CC(C)c1ccc(O)c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C(C)C)ccc2O)c1
• InChI: InChI=1S/C30H30N2O2/c1-19(2)21-9-11-29(33)25(13-21)17-31-27-15-23-7-5-6-8-24(23)16-28(27)32-18-26-14-22(20(3)4)10-12-30(26)34/h5-20,33-34H,1-4H3/b31-17+,32-18+
• InChIKey: LYLMDCIAEBNDLG-LTTYKRRRSA-N
• XLogP: 8.00
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	8.00
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-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol?

The IUPAC name of 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol (CID 137071368) is 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol.

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

The canonical SMILES for 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol is CC(C)c1ccc(O)c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C(C)C)ccc2O)c1.

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

The InChIKey is LYLMDCIAEBNDLG-LTTYKRRRSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-19(2)21-9-11-29(33)25(13-21)17-31-27-15-23-7-5-6-8-24(23)16-28(27)32-18-26-14-22(20(3)4)10-12-30(26)34/h5-20,33-34H,1-4H3/b31-17+,32-18+.

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

2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol has a molecular weight of 450.58 g/mol, XLogP of 8.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol is sourced from PubChem (CID 137071368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).