2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid

C12H14O2 — CID 84719506

IUPAC2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc2c(c1)CC(C)(C(=O)O)C2
InChIInChI=1S/C12H14O2/c1-8-3-4-9-6-12(2,11(13)14)7-10(9)5-8/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyUXMKOGICGJXQBX-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.18
Rot. Bonds1

About 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid

2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid (PubChem CID 84719506) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
PubChem CID84719506
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc2c(c1)CC(C)(C(=O)O)C2
InChIInChI=1S/C12H14O2/c1-8-3-4-9-6-12(2,11(13)14)7-10(9)5-8/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyUXMKOGICGJXQBX-UHFFFAOYSA-N
XLogP2.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid (CID 84719506) is 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid is Cc1ccc2c(c1)CC(C)(C(=O)O)C2.
What is the InChIKey of 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is UXMKOGICGJXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-3-4-9-6-12(2,11(13)14)7-10(9)5-8/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid?
2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 84719506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).