2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid

C20H21NO4 — CID 4004569

IUPAC2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc2[nH]c(-c3ccccc3OCC)c(CC(=O)O)c2c1
InChIInChI=1S/C20H21NO4/c1-3-24-13-9-10-17-15(11-13)16(12-19(22)23)20(21-17)14-7-5-6-8-18(14)25-4-2/h5-11,21H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyVGPBVWNUXSLEOV-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.26
Rot. Bonds7

About 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid

2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 4004569) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID4004569
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc2[nH]c(-c3ccccc3OCC)c(CC(=O)O)c2c1
InChIInChI=1S/C20H21NO4/c1-3-24-13-9-10-17-15(11-13)16(12-19(22)23)20(21-17)14-7-5-6-8-18(14)25-4-2/h5-11,21H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyVGPBVWNUXSLEOV-UHFFFAOYSA-N
XLogP4.26
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[2-(5-bromo-2-ethoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid
CID 4218766
2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3974335
2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 70540384
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
CID 4237687
2-[5-butoxy-2-(2,4-difluorophenyl)-1H-indol-3-yl]acetic acid
CID 5105644
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid (CID 4004569) is 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid is CCOc1ccc2[nH]c(-c3ccccc3OCC)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is VGPBVWNUXSLEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-24-13-9-10-17-15(11-13)16(12-19(22)23)20(21-17)14-7-5-6-8-18(14)25-4-2/h5-11,21H,3-4,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 339.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4004569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).