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

C20H21NO2 — CID 4211114

IUPAC2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
SMILESCCc1ccc(-c2[nH]c3c(CC)cccc3c2CC(=O)O)cc1
InChIInChI=1S/C20H21NO2/c1-3-13-8-10-15(11-9-13)20-17(12-18(22)23)16-7-5-6-14(4-2)19(16)21-20/h5-11,21H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyLYJGZQBAMKKKSO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.59
Rot. Bonds5

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

2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 4211114) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID4211114
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
SMILESCCc1ccc(-c2[nH]c3c(CC)cccc3c2CC(=O)O)cc1
InChIInChI=1S/C20H21NO2/c1-3-13-8-10-15(11-9-13)20-17(12-18(22)23)16-7-5-6-14(4-2)19(16)21-20/h5-11,21H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyLYJGZQBAMKKKSO-UHFFFAOYSA-N
XLogP4.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid (CID 4211114) is 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid is CCc1ccc(-c2[nH]c3c(CC)cccc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is LYJGZQBAMKKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-13-8-10-15(11-9-13)20-17(12-18(22)23)16-7-5-6-14(4-2)19(16)21-20/h5-11,21H,3-4,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4211114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).