2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid

C15H20O3 — CID 65409494

IUPAC2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)OCCC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C15H20O3/c1-11(2)18-8-7-15(14(16)17)9-12-5-3-4-6-13(12)10-15/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyMJAZUCGSUOGBQI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid

2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 65409494) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID65409494
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)OCCC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C15H20O3/c1-11(2)18-8-7-15(14(16)17)9-12-5-3-4-6-13(12)10-15/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyMJAZUCGSUOGBQI-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid (CID 65409494) is 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid is CC(C)OCCC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is MJAZUCGSUOGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)18-8-7-15(14(16)17)9-12-5-3-4-6-13(12)10-15/h3-6,11H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid?
2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 65409494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).