3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid

C11H12O3 — CID 82125637

IUPAC3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1ccc2c(c1)C(O)CC2C(=O)O
InChIInChI=1S/C11H12O3/c1-6-2-3-7-8(4-6)10(12)5-9(7)11(13)14/h2-4,9-10,12H,5H2,1H3,(H,13,14)
InChIKeyRZQWPVIJFKZDOO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.60
Rot. Bonds1

About 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid

3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 82125637) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID82125637
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1ccc2c(c1)C(O)CC2C(=O)O
InChIInChI=1S/C11H12O3/c1-6-2-3-7-8(4-6)10(12)5-9(7)11(13)14/h2-4,9-10,12H,5H2,1H3,(H,13,14)
InChIKeyRZQWPVIJFKZDOO-UHFFFAOYSA-N
XLogP1.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid (CID 82125637) is 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid is Cc1ccc2c(c1)C(O)CC2C(=O)O.
What is the InChIKey of 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is RZQWPVIJFKZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-2-3-7-8(4-6)10(12)5-9(7)11(13)14/h2-4,9-10,12H,5H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid?
3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 82125637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).