[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol

C₂₃H₂₂N₂O₂ — CID 71575015

About [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol

[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol (PubChem CID 71575015) has the molecular formula C₂₃H₂₂N₂O₂ and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol.

Molecular Properties

• Compound Name: [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
• PubChem CID: 71575015
• Molecular Formula: C₂₃H₂₂N₂O₂
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.17
• IUPAC Name: [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
• SMILES: Cn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccccc3)n1C2
• InChI: InChI=1S/C23H22N2O2/c1-24-20-10-6-5-9-16(20)17-11-21-18(13-26)19(14-27)23(25(21)12-22(17)24)15-7-3-2-4-8-15/h2-10,26-27H,11-14H2,1H3
• InChIKey: CEEOQGQIXDYQTE-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 50.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?

The IUPAC name of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol (CID 71575015) is [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol.

What is the SMILES notation for [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?

The canonical SMILES for [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol is Cn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccccc3)n1C2.

What is the InChIKey of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?

The InChIKey is CEEOQGQIXDYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-24-20-10-6-5-9-16(20)17-11-21-18(13-26)19(14-27)23(25(21)12-22(17)24)15-7-3-2-4-8-15/h2-10,26-27H,11-14H2,1H3.

What are the key properties of [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?

[2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(hydroxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol is sourced from PubChem (CID 71575015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71575015 — identifiers, structure, computed properties (public domain)

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