2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol

C30H28N2O5 — CID 136857641

About 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol

2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol (PubChem CID 136857641) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
• PubChem CID: 136857641
• Molecular Formula: C30H28N2O5
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.20
• IUPAC Name: 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
• SMILES: Oc1ccccc1/C=N/c1ccccc1OCCOCCOc1ccccc1/N=C/c1ccccc1O
• InChI: InChI=1S/C30H28N2O5/c33-27-13-5-1-9-23(27)21-31-25-11-3-7-15-29(25)36-19-17-35-18-20-37-30-16-8-4-12-26(30)32-22-24-10-2-6-14-28(24)34/h1-16,21-22,33-34H,17-20H2/b31-21+,32-22+
• InChIKey: VEBZARXKDDNSSG-RWRHWQIFSA-N
• XLogP: 6.07
• TPSA: 92.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol?

The IUPAC name of 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol (CID 136857641) is 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol.

What is the SMILES notation for 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol?

The canonical SMILES for 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccccc1OCCOCCOc1ccccc1/N=C/c1ccccc1O.

What is the InChIKey of 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol?

The InChIKey is VEBZARXKDDNSSG-RWRHWQIFSA-N. The full InChI is InChI=1S/C30H28N2O5/c33-27-13-5-1-9-23(27)21-31-25-11-3-7-15-29(25)36-19-17-35-18-20-37-30-16-8-4-12-26(30)32-22-24-10-2-6-14-28(24)34/h1-16,21-22,33-34H,17-20H2/b31-21+,32-22+.

What are the key properties of 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol?

2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol has a molecular weight of 496.56 g/mol, XLogP of 6.07, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol is sourced from PubChem (CID 136857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).