1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid

C18H19NO2 — CID 151895326

IUPAC1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)c1ccc(N2c3ccccc3CC2C(=O)O)cc1
InChIInChI=1S/C18H19NO2/c1-12(2)13-7-9-15(10-8-13)19-16-6-4-3-5-14(16)11-17(19)18(20)21/h3-10,12,17H,11H2,1-2H3,(H,20,21)
InChIKeySRPARIGZIOBHHS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid

1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 151895326) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID151895326
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)c1ccc(N2c3ccccc3CC2C(=O)O)cc1
InChIInChI=1S/C18H19NO2/c1-12(2)13-7-9-15(10-8-13)19-16-6-4-3-5-14(16)11-17(19)18(20)21/h3-10,12,17H,11H2,1-2H3,(H,20,21)
InChIKeySRPARIGZIOBHHS-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-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

ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 174520970
sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
CID 174534060
(2S)-N-hydroxy-1-phenyl-2,3-dihydroindole-2-carboxamide
CID 99983793
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
(2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105688
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 10588897
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid (CID 151895326) is 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid is CC(C)c1ccc(N2c3ccccc3CC2C(=O)O)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is SRPARIGZIOBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)13-7-9-15(10-8-13)19-16-6-4-3-5-14(16)11-17(19)18(20)21/h3-10,12,17H,11H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 151895326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).