4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid

C15H15NO4 — CID 115349494

About 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid

4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 115349494) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
• PubChem CID: 115349494
• Molecular Formula: C15H15NO4
• Molecular Weight: 273.29 g/mol
• Exact Mass: 273.10
• IUPAC Name: 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
• SMILES: COc1cc2c(cc1-c1c[nH]cc1C(=O)O)OC(C)C2
• InChI: InChI=1S/C15H15NO4/c1-8-3-9-4-14(19-2)10(5-13(9)20-8)11-6-16-7-12(11)15(17)18/h4-8,16H,3H2,1-2H3,(H,17,18)
• InChIKey: ZGGFUCLCCQOTNS-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 71.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.29
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid?

The IUPAC name of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid (CID 115349494) is 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid is COc1cc2c(cc1-c1c[nH]cc1C(=O)O)OC(C)C2.

What is the InChIKey of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid?

The InChIKey is ZGGFUCLCCQOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-8-3-9-4-14(19-2)10(5-13(9)20-8)11-6-16-7-12(11)15(17)18/h4-8,16H,3H2,1-2H3,(H,17,18).

What are the key properties of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid?

4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 115349494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).