2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid

C24H21NO3 — CID 3916073

IUPAC2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C24H21NO3/c1-2-28-19-12-13-22-20(14-19)21(15-23(26)27)24(25-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,25H,2,15H2,1H3,(H,26,27)
InChIKeyCKMROJSMDCTVIP-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.53
Rot. Bonds6

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

2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3916073) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3916073
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C24H21NO3/c1-2-28-19-12-13-22-20(14-19)21(15-23(26)27)24(25-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,25H,2,15H2,1H3,(H,26,27)
InChIKeyCKMROJSMDCTVIP-UHFFFAOYSA-N
XLogP5.53
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-ethoxy-2-(4-phenylphenyl)-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-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
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
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
2-[5-tert-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5236278
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002
2-[5-butoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3948737
2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4265168
2-[5-butan-2-yl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 5180331

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid (CID 3916073) is 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid is CCOc1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is CKMROJSMDCTVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-28-19-12-13-22-20(14-19)21(15-23(26)27)24(25-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,25H,2,15H2,1H3,(H,26,27).
What are the key properties of 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 371.44 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3916073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).