2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid

C19H19NO3 — CID 3935848

IUPAC2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc(-c2[nH]c3ccc(C)cc3c2CC(=O)O)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-14-7-5-13(6-8-14)19-16(11-18(21)22)15-10-12(2)4-9-17(15)20-19/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyMRGJKPPYIPZFAP-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.17
Rot. Bonds5

About 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid

2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid (PubChem CID 3935848) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
PubChem CID3935848
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc(-c2[nH]c3ccc(C)cc3c2CC(=O)O)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-14-7-5-13(6-8-14)19-16(11-18(21)22)15-10-12(2)4-9-17(15)20-19/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyMRGJKPPYIPZFAP-UHFFFAOYSA-N
XLogP4.17
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-tert-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5236278
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-(4-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 4280037
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002
2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 4309109
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
2-[2-(2,5-dimethylphenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 3579332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid (CID 3935848) is 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid is CCOc1ccc(-c2[nH]c3ccc(C)cc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid?
The InChIKey is MRGJKPPYIPZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-14-7-5-13(6-8-14)19-16(11-18(21)22)15-10-12(2)4-9-17(15)20-19/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid?
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3935848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).