2-(6-propan-2-yl-1H-indol-4-yl)acetic acid

C13H15NO2 — CID 174727821

IUPAC2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)c2cc[nH]c2c1
InChIInChI=1S/C13H15NO2/c1-8(2)9-5-10(7-13(15)16)11-3-4-14-12(11)6-9/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyHIPZJHLFDLBHNU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.92
Rot. Bonds3

About 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid

2-(6-propan-2-yl-1H-indol-4-yl)acetic acid (PubChem CID 174727821) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
PubChem CID174727821
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)c2cc[nH]c2c1
InChIInChI=1S/C13H15NO2/c1-8(2)9-5-10(7-13(15)16)11-3-4-14-12(11)6-9/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyHIPZJHLFDLBHNU-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(6-propan-2-yl-1H-indol-4-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

7-propan-2-yl-1H-quinoline-4-thione
CID 19075128
4-propan-2-yl-1H-indole-6-carboxylic acid
CID 159922488
2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 158407145
2-[5-(6-fluoro-1H-indol-4-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]acetic acid
CID 146350375
hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)
CID 15140319
2-(5-methylsulfonyl-1H-indol-4-yl)acetic acid
CID 76846724
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
6-ethyl-4-propan-2-yl-1H-indole
CID 129263187
2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid
CID 174763150
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4265168
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid?
The IUPAC name of 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid (CID 174727821) is 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid.
What is the SMILES notation for 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid?
The canonical SMILES for 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid is CC(C)c1cc(CC(=O)O)c2cc[nH]c2c1.
What is the InChIKey of 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid?
The InChIKey is HIPZJHLFDLBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)9-5-10(7-13(15)16)11-3-4-14-12(11)6-9/h3-6,8,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid?
2-(6-propan-2-yl-1H-indol-4-yl)acetic acid has a molecular weight of 217.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-1H-indol-4-yl)acetic acid is sourced from PubChem (CID 174727821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).