2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid

C24H26FNO4 — CID 10179831

IUPAC2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(C)ccc2-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C24H26FNO4/c1-3-29-23(24(27)28)16-18-5-11-21(12-6-18)30-15-14-26-17(2)4-13-22(26)19-7-9-20(25)10-8-19/h4-13,23H,3,14-16H2,1-2H3,(H,27,28)
InChIKeyXPXLGXIKOZQXMC-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.71
Rot. Bonds10

About 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 10179831) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID10179831
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(C)ccc2-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C24H26FNO4/c1-3-29-23(24(27)28)16-18-5-11-21(12-6-18)30-15-14-26-17(2)4-13-22(26)19-7-9-20(25)10-8-19/h4-13,23H,3,14-16H2,1-2H3,(H,27,28)
InChIKeyXPXLGXIKOZQXMC-UHFFFAOYSA-N
XLogP4.71
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

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3-[4-[[1-(4-Ethylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
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3-[3,5-Difluoro-4-[[1-(4-methylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
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3-[3,5-Difluoro-4-[[1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
CID 86343591
3-[4-[[1-(2,4-Difluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoic acid
CID 86343594
3-[4-[[1-(3,4-Difluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoic acid
CID 86343595
3-[4-{[1-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrrol-2-yl]methoxy}-2-(trifluoromethyl)phenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (CID 10179831) is 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCn2c(C)ccc2-c2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is XPXLGXIKOZQXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4/c1-3-29-23(24(27)28)16-18-5-11-21(12-6-18)30-15-14-26-17(2)4-13-22(26)19-7-9-20(25)10-8-19/h4-13,23H,3,14-16H2,1-2H3,(H,27,28).
What are the key properties of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 411.47 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10179831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).