2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid

C18H16BrNO4 — CID 3257517

IUPAC2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(-c2[nH]c3ccc(Br)cc3c2CC(=O)O)c(OC)c1
InChIInChI=1S/C18H16BrNO4/c1-23-11-4-5-12(16(8-11)24-2)18-14(9-17(21)22)13-7-10(19)3-6-15(13)20-18/h3-8,20H,9H2,1-2H3,(H,21,22)
InChIKeyLCRZPDLZACSDJT-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.24
Rot. Bonds5

About 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid

2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3257517) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3257517
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(-c2[nH]c3ccc(Br)cc3c2CC(=O)O)c(OC)c1
InChIInChI=1S/C18H16BrNO4/c1-23-11-4-5-12(16(8-11)24-2)18-14(9-17(21)22)13-7-10(19)3-6-15(13)20-18/h3-8,20H,9H2,1-2H3,(H,21,22)
InChIKeyLCRZPDLZACSDJT-UHFFFAOYSA-N
XLogP4.24
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-2-(2,4-dimethoxyphenyl)-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-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-(5-bromo-2-methoxyphenyl)-3-(carboxymethyl)-1H-indole-5-carboxylic acid
CID 3633848
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 4233238
2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid
CID 3894141
2-[2-(2,4-difluorophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4667197
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[2-(2,5-dimethylphenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 3579332
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(5-bromo-2-ethoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid
CID 4218766
3-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]propanoic acid
CID 165440970
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid (CID 3257517) is 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid is COc1ccc(-c2[nH]c3ccc(Br)cc3c2CC(=O)O)c(OC)c1.
What is the InChIKey of 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is LCRZPDLZACSDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-23-11-4-5-12(16(8-11)24-2)18-14(9-17(21)22)13-7-10(19)3-6-15(13)20-18/h3-8,20H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 390.23 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3257517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).