1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole

C₁₈H₁₅NO — CID 157483251

About 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole

1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole (PubChem CID 157483251) has the molecular formula C₁₈H₁₅NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole.

Molecular Properties

• Compound Name: 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
• PubChem CID: 157483251
• Molecular Formula: C₁₈H₁₅NO
• Molecular Weight: 261.32 g/mol
• Exact Mass: 261.12
• IUPAC Name: 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
• SMILES: Cc1c(-c2ccccc2)c2oc3ccccc3c2n1C
• InChI: InChI=1S/C18H15NO/c1-12-16(13-8-4-3-5-9-13)18-17(19(12)2)14-10-6-7-11-15(14)20-18/h3-11H,1-2H3
• InChIKey: IHHTZWOFKIUKNW-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.32
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?

The IUPAC name of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole (CID 157483251) is 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole.

What is the SMILES notation for 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?

The canonical SMILES for 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole is Cc1c(-c2ccccc2)c2oc3ccccc3c2n1C.

What is the InChIKey of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?

The InChIKey is IHHTZWOFKIUKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-16(13-8-4-3-5-9-13)18-17(19(12)2)14-10-6-7-11-15(14)20-18/h3-11H,1-2H3.

What are the key properties of 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole?

1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole has a molecular weight of 261.32 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole is sourced from PubChem (CID 157483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157483251 — identifiers, structure, computed properties (public domain)

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