2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

C22H18N2O3 — CID 4219570

About 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 4219570) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
• PubChem CID: 4219570
• Molecular Formula: C22H18N2O3
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.13
• IUPAC Name: 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
• SMILES: COc1cccc(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)c1O
• InChI: InChI=1S/C22H18N2O3/c1-14-6-3-10-18-20(14)24-22(27-18)15-7-4-9-17(12-15)23-13-16-8-5-11-19(26-2)21(16)25/h3-13,25H,1-2H3/b23-13+
• InChIKey: CZTUKGNMMGGOKQ-YDZHTSKRSA-N
• XLogP: 5.27
• TPSA: 67.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?

The IUPAC name of 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 4219570) is 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

What is the SMILES notation for 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?

The canonical SMILES for 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is COc1cccc(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)c1O.

What is the InChIKey of 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?

The InChIKey is CZTUKGNMMGGOKQ-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-6-3-10-18-20(14)24-22(27-18)15-7-4-9-17(12-15)23-13-16-8-5-11-19(26-2)21(16)25/h3-13,25H,1-2H3/b23-13+.

What are the key properties of 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?

2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 358.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 4219570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).