2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid

C18H24O3 — CID 103161260

IUPAC2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CC(O)CC2CCCC2)Cc2ccccc2C1
InChIInChI=1S/C18H24O3/c19-16(9-13-5-1-2-6-13)12-18(17(20)21)10-14-7-3-4-8-15(14)11-18/h3-4,7-8,13,16,19H,1-2,5-6,9-12H2,(H,20,21)
InChIKeyWYJITCYPWPVJOO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.19
Rot. Bonds5

About 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid

2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 103161260) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID103161260
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CC(O)CC2CCCC2)Cc2ccccc2C1
InChIInChI=1S/C18H24O3/c19-16(9-13-5-1-2-6-13)12-18(17(20)21)10-14-7-3-4-8-15(14)11-18/h3-4,7-8,13,16,19H,1-2,5-6,9-12H2,(H,20,21)
InChIKeyWYJITCYPWPVJOO-UHFFFAOYSA-N
XLogP3.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid (CID 103161260) is 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(CC(O)CC2CCCC2)Cc2ccccc2C1.
What is the InChIKey of 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WYJITCYPWPVJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-16(9-13-5-1-2-6-13)12-18(17(20)21)10-14-7-3-4-8-15(14)11-18/h3-4,7-8,13,16,19H,1-2,5-6,9-12H2,(H,20,21).
What are the key properties of 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid?
2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 103161260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).