1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

C32H34N2O3 — CID 23604789

About 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (PubChem CID 23604789) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
• PubChem CID: 23604789
• Molecular Formula: C32H34N2O3
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.26
• IUPAC Name: 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
• SMILES: CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CC=C(c4ccccc4)CC3)cc12
• InChI: InChI=1S/C32H34N2O3/c1-22-9-11-27(12-10-22)34-23(2)32(24(3)35)30-19-29(13-14-31(30)34)37-21-28(36)20-33-17-15-26(16-18-33)25-7-5-4-6-8-25/h4-15,19,28,36H,16-18,20-21H2,1-3H3
• InChIKey: MOZSSRGUUHHHPQ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 54.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

The IUPAC name of 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (CID 23604789) is 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.

What is the SMILES notation for 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

The canonical SMILES for 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CC=C(c4ccccc4)CC3)cc12.

What is the InChIKey of 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

The InChIKey is MOZSSRGUUHHHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-22-9-11-27(12-10-22)34-23(2)32(24(3)35)30-19-29(13-14-31(30)34)37-21-28(36)20-33-17-15-26(16-18-33)25-7-5-4-6-8-25/h4-15,19,28,36H,16-18,20-21H2,1-3H3.

What are the key properties of 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone has a molecular weight of 494.64 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 23604789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).