ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate

C39H42FNO7 — CID 134327355

About ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate

ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 134327355) has the molecular formula C39H42FNO7 and a molecular weight of 655.76 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate
• PubChem CID: 134327355
• Molecular Formula: C39H42FNO7
• Molecular Weight: 655.76 g/mol
• Exact Mass: 655.29
• IUPAC Name: ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate
• SMILES: CCOC(=O)COCCOCCOCCOc1ccc(Cn2c(-c3ccc(F)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1
• InChI: InChI=1S/C39H42FNO7/c1-3-46-38(42)28-45-22-21-43-19-20-44-23-24-47-34-15-9-30(10-16-34)26-41-37-18-17-35(48-27-31-7-5-4-6-8-31)25-36(37)29(2)39(41)32-11-13-33(40)14-12-32/h4-18,25H,3,19-24,26-28H2,1-2H3
• InChIKey: PEKJUFBDJAXAQV-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 77.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.76
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate?

The IUPAC name of ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate (CID 134327355) is ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate is CCOC(=O)COCCOCCOCCOc1ccc(Cn2c(-c3ccc(F)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1.

What is the InChIKey of ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate?

The InChIKey is PEKJUFBDJAXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42FNO7/c1-3-46-38(42)28-45-22-21-43-19-20-44-23-24-47-34-15-9-30(10-16-34)26-41-37-18-17-35(48-27-31-7-5-4-6-8-31)25-36(37)29(2)39(41)32-11-13-33(40)14-12-32/h4-18,25H,3,19-24,26-28H2,1-2H3.

What are the key properties of ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate?

ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 655.76 g/mol, XLogP of 7.37, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 134327355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).