(Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine

C26H27NO5 — CID 172922259

About (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine

(Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine (PubChem CID 172922259) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine.

Molecular Properties

• Compound Name: (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine
• PubChem CID: 172922259
• Molecular Formula: C26H27NO5
• Molecular Weight: 433.50 g/mol
• Exact Mass: 433.19
• IUPAC Name: (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine
• SMILES: CO/N=C(\COc1ccc(COc2ccc3c(c2)OCC3C)cc1OC)c1ccccc1
• InChI: InChI=1S/C26H27NO5/c1-18-15-31-25-14-21(10-11-22(18)25)30-16-19-9-12-24(26(13-19)28-2)32-17-23(27-29-3)20-7-5-4-6-8-20/h4-14,18H,15-17H2,1-3H3/b27-23+
• InChIKey: WZZLQYRTQHELMX-SLEBQGDGSA-N
• XLogP: 5.20
• TPSA: 58.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.50
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine?

The IUPAC name of (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine (CID 172922259) is (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine.

What is the SMILES notation for (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine?

The canonical SMILES for (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine is CO/N=C(\COc1ccc(COc2ccc3c(c2)OCC3C)cc1OC)c1ccccc1.

What is the InChIKey of (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine?

The InChIKey is WZZLQYRTQHELMX-SLEBQGDGSA-N. The full InChI is InChI=1S/C26H27NO5/c1-18-15-31-25-14-21(10-11-22(18)25)30-16-19-9-12-24(26(13-19)28-2)32-17-23(27-29-3)20-7-5-4-6-8-20/h4-14,18H,15-17H2,1-3H3/b27-23+.

What are the key properties of (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine?

(Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine has a molecular weight of 433.50 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine is sourced from PubChem (CID 172922259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).