2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid

C14H16O3 — CID 79429170

IUPAC2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(C2CCOC2)Cc2ccccc2C1
InChIInChI=1S/C14H16O3/c15-13(16)14(12-5-6-17-9-12)7-10-3-1-2-4-11(10)8-14/h1-4,12H,5-9H2,(H,15,16)
InChIKeyJMISIFPUHWMNSR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.89
Rot. Bonds2

About 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid

2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 79429170) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID79429170
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(C2CCOC2)Cc2ccccc2C1
InChIInChI=1S/C14H16O3/c15-13(16)14(12-5-6-17-9-12)7-10-3-1-2-4-11(10)8-14/h1-4,12H,5-9H2,(H,15,16)
InChIKeyJMISIFPUHWMNSR-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(oxolan-3-yl)-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

Related Compounds

2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79429640
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
2-(oxan-3-yl)-1,3-dihydroinden-2-ol
CID 107135477
2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114277474
4-ethyl-1-(oxolan-3-yl)cyclohexane-1-carboxylic acid
CID 79429126
3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid
CID 114266784
(3aS,7aS)-2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628510
2-(4-hydroxy-1,1-dioxothiolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79428307
3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115021943
7-cycloheptyl-5,6,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid
CID 163469121
4-butyl-1-(oxolan-3-yl)cyclohexane-1-carboxylic acid
CID 79424913
2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79429733

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid (CID 79429170) is 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(C2CCOC2)Cc2ccccc2C1.
What is the InChIKey of 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is JMISIFPUHWMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(16)14(12-5-6-17-9-12)7-10-3-1-2-4-11(10)8-14/h1-4,12H,5-9H2,(H,15,16).
What are the key properties of 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid?
2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 79429170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).