1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid

C20H19NO4 — CID 99965336

IUPAC1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid
SMILESCC(C)c1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C20H19NO4/c1-13(2)14-7-9-15(10-8-14)25-12-19(22)21-11-17(20(23)24)16-5-3-4-6-18(16)21/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyWIQQWKRKQDNEEG-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.18
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid

1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid (PubChem CID 99965336) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid
PubChem CID99965336
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid
SMILESCC(C)c1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C20H19NO4/c1-13(2)14-7-9-15(10-8-14)25-12-19(22)21-11-17(20(23)24)16-5-3-4-6-18(16)21/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyWIQQWKRKQDNEEG-UHFFFAOYSA-N
XLogP4.18
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic 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

methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
1-[2-(2,3-dimethylphenoxy)acetyl]indole-3-carboxylic acid
CID 99965438
1-[2-(2-bromo-4,6-dimethylphenoxy)acetyl]indole-3-carboxylic acid
CID 99967709
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
CID 703715
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661
1-[2-(4-nitrophenoxy)acetyl]indole-3-carbaldehyde
CID 99971310
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]indole-3-carbaldehyde
CID 99966920
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid (CID 99965336) is 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid is CC(C)c1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid?
The InChIKey is WIQQWKRKQDNEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(2)14-7-9-15(10-8-14)25-12-19(22)21-11-17(20(23)24)16-5-3-4-6-18(16)21/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid?
1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)acetyl]indole-3-carboxylic acid is sourced from PubChem (CID 99965336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).