2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid

C20H21NO2 — CID 5217897

IUPAC2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
SMILESCCc1ccc(-c2[nH]c3c(C)cc(C)cc3c2CC(=O)O)cc1
InChIInChI=1S/C20H21NO2/c1-4-14-5-7-15(8-6-14)20-17(11-18(22)23)16-10-12(2)9-13(3)19(16)21-20/h5-10,21H,4,11H2,1-3H3,(H,22,23)
InChIKeyUWEKLJWDYZMCOS-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.64
Rot. Bonds4

About 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid

2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid (PubChem CID 5217897) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
PubChem CID5217897
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
SMILESCCc1ccc(-c2[nH]c3c(C)cc(C)cc3c2CC(=O)O)cc1
InChIInChI=1S/C20H21NO2/c1-4-14-5-7-15(8-6-14)20-17(11-18(22)23)16-10-12(2)9-13(3)19(16)21-20/h5-10,21H,4,11H2,1-3H3,(H,22,23)
InChIKeyUWEKLJWDYZMCOS-UHFFFAOYSA-N
XLogP4.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[2-(4-ethylphenyl)-5,7-dimethyl-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-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
2-[4-chloro-2-(4-ethylphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5039749
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5123254
2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3967838
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090
2-[2-(5-fluoro-2-methoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4009632
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
CID 84631831
2-[5,7-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3350180
2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4023025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid (CID 5217897) is 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid is CCc1ccc(-c2[nH]c3c(C)cc(C)cc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
The InChIKey is UWEKLJWDYZMCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-14-5-7-15(8-6-14)20-17(11-18(22)23)16-10-12(2)9-13(3)19(16)21-20/h5-10,21H,4,11H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5217897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).