3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid

C24H26FNO3 — CID 22558752

IUPAC3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid
SMILESCCn1ccc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCC3)ccc21
InChIInChI=1S/C24H26FNO3/c1-2-26-12-11-18-15-17(8-9-22(18)26)20-13-16(7-10-23(27)28)14-21(25)24(20)29-19-5-3-4-6-19/h8-9,11-15,19H,2-7,10H2,1H3,(H,27,28)
InChIKeyMETXHFGVLNDDCU-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.81
Rot. Bonds7

About 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid

3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid (PubChem CID 22558752) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid
PubChem CID22558752
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid
SMILESCCn1ccc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCC3)ccc21
InChIInChI=1S/C24H26FNO3/c1-2-26-12-11-18-15-17(8-9-22(18)26)20-13-16(7-10-23(27)28)14-21(25)24(20)29-19-5-3-4-6-19/h8-9,11-15,19H,2-7,10H2,1H3,(H,27,28)
InChIKeyMETXHFGVLNDDCU-UHFFFAOYSA-N
XLogP5.81
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gemilukast
CID 46830962
FXIa-IN-7
CID 146672980
((1S)-5-{3-[(1-methyl-1H-indol-5-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 24776388
2-[(1S)-5-{3-[(1-methyl-4-propyl-1H-indol-5-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776391
4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethylphenylacetic acid
CID 9803551
1-(3-(4-Octylphenoxy)-2-oxopropyl)indole-5-carboxylic acid
CID 11690325
2-[1-[(4-Hydroxy-3-propan-2-ylphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid
CID 118726604
2-[1-[(4-Hydroxy-3-propan-2-ylphenyl)methyl]-7-methylindol-5-yl]oxyacetic acid
CID 118726605
2-[1-[(3-Cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid
CID 118726613
4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(2,3,6-trifluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183682
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,6-trifluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183687
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,4,5-tetrafluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183689

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid (CID 22558752) is 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid is CCn1ccc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCC3)ccc21.
What is the InChIKey of 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid?
The InChIKey is METXHFGVLNDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-2-26-12-11-18-15-17(8-9-22(18)26)20-13-16(7-10-23(27)28)14-21(25)24(20)29-19-5-3-4-6-19/h8-9,11-15,19H,2-7,10H2,1H3,(H,27,28).
What are the key properties of 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid?
3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid has a molecular weight of 395.47 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopentyloxy-3-(1-ethylindol-5-yl)-5-fluorophenyl]propanoic acid is sourced from PubChem (CID 22558752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).