cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid

C17H20O4 — CID 175507946

IUPACcyclohexanecarboxylic acid;1H-indene-2-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2C1.O=C(O)C1CCCCC1
InChIInChI=1S/C10H8O2.C7H12O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9;8-7(9)6-4-2-1-3-5-6/h1-5H,6H2,(H,11,12);6H,1-5H2,(H,8,9)
InChIKeyMDWDEKUQXQWGKE-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.36
Rot. Bonds2

About cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid

cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid (PubChem CID 175507946) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;1H-indene-2-carboxylic acid
PubChem CID175507946
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namecyclohexanecarboxylic acid;1H-indene-2-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2C1.O=C(O)C1CCCCC1
InChIInChI=1S/C10H8O2.C7H12O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9;8-7(9)6-4-2-1-3-5-6/h1-5H,6H2,(H,11,12);6H,1-5H2,(H,8,9)
InChIKeyMDWDEKUQXQWGKE-UHFFFAOYSA-N
XLogP3.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid?
The IUPAC name of cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid (CID 175507946) is cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid.
What is the SMILES notation for cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid?
The canonical SMILES for cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid is O=C(O)C1=Cc2ccccc2C1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid?
The InChIKey is MDWDEKUQXQWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C7H12O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9;8-7(9)6-4-2-1-3-5-6/h1-5H,6H2,(H,11,12);6H,1-5H2,(H,8,9).
What are the key properties of cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid?
cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid is sourced from PubChem (CID 175507946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).