2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid

C14H16O3 — CID 114997823

IUPAC2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(OC2CCC2)Cc2ccccc2C1
InChIInChI=1S/C14H16O3/c15-13(16)14(17-12-6-3-7-12)8-10-4-1-2-5-11(10)9-14/h1-2,4-5,12H,3,6-9H2,(H,15,16)
InChIKeyUOQAOTZXLZTUME-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.18
Rot. Bonds3

About 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid

2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid (PubChem CID 114997823) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid
PubChem CID114997823
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(OC2CCC2)Cc2ccccc2C1
InChIInChI=1S/C14H16O3/c15-13(16)14(17-12-6-3-7-12)8-10-4-1-2-5-11(10)9-14/h1-2,4-5,12H,3,6-9H2,(H,15,16)
InChIKeyUOQAOTZXLZTUME-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid (CID 114997823) is 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(OC2CCC2)Cc2ccccc2C1.
What is the InChIKey of 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is UOQAOTZXLZTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(16)14(17-12-6-3-7-12)8-10-4-1-2-5-11(10)9-14/h1-2,4-5,12H,3,6-9H2,(H,15,16).
What are the key properties of 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid?
2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 114997823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).