3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine

C69H88N10O7 — CID 160836403

About 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine

3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 160836403) has the molecular formula C69H88N10O7 and a molecular weight of 1169.53 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine
• PubChem CID: 160836403
• Molecular Formula: C69H88N10O7
• Molecular Weight: 1169.53 g/mol
• Exact Mass: 1168.68
• IUPAC Name: 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine
• SMILES: COCCCc1c(C)oc2ccccc12.COCCCc1c[nH]c2cnccc12.COCCCc1c[nH]c2ncccc12.COCCCc1cn(C)c2ncccc12.COCCCn1ccc2cccnc21.COCCCn1ccc2cnccc21
• InChI: InChI=1S/C13H16O2.C12H16N2O.4C11H14N2O/c1-10-11(7-5-9-14-2)12-6-3-4-8-13(12)15-10;1-14-9-10(5-4-8-15-2)11-6-3-7-13-12(11)14;1-14-8-2-6-13-7-4-10-9-12-5-3-11(10)13;1-14-7-3-4-9-8-13-11-10(9)5-2-6-12-11;1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13;1-14-6-2-3-9-7-13-11-8-12-5-4-10(9)11/h3-4,6,8H,5,7,9H2,1-2H3;3,6-7,9H,4-5,8H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;2,5-6,8H,3-4,7H2,1H3,(H,12,13);2,4-6,8H,3,7,9H2,1H3;4-5,7-8,13H,2-3,6H2,1H3
• InChIKey: SHLRMTJFODJVCY-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 179.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1169.53
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine?

The IUPAC name of 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine (CID 160836403) is 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine.

What is the SMILES notation for 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine?

The canonical SMILES for 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine is COCCCc1c(C)oc2ccccc12.COCCCc1c[nH]c2cnccc12.COCCCc1c[nH]c2ncccc12.COCCCc1cn(C)c2ncccc12.COCCCn1ccc2cccnc21.COCCCn1ccc2cnccc21.

What is the InChIKey of 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine?

The InChIKey is SHLRMTJFODJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C12H16N2O.4C11H14N2O/c1-10-11(7-5-9-14-2)12-6-3-4-8-13(12)15-10;1-14-9-10(5-4-8-15-2)11-6-3-7-13-12(11)14;1-14-8-2-6-13-7-4-10-9-12-5-3-11(10)13;1-14-7-3-4-9-8-13-11-10(9)5-2-6-12-11;1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13;1-14-6-2-3-9-7-13-11-8-12-5-4-10(9)11/h3-4,6,8H,5,7,9H2,1-2H3;3,6-7,9H,4-5,8H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;2,5-6,8H,3-4,7H2,1H3,(H,12,13);2,4-6,8H,3,7,9H2,1H3;4-5,7-8,13H,2-3,6H2,1H3.

What are the key properties of 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine?

3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 1169.53 g/mol, XLogP of 13.90, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxypropyl)-2-methyl-1-benzofuran;3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 160836403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).