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

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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).