4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid

C12H14O3 — CID 66899718

IUPAC4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid
SMILESCC1c2cccc(O)c2CC1(C)C(=O)O
InChIInChI=1S/C12H14O3/c1-7-8-4-3-5-10(13)9(8)6-12(7,2)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyCOVIEOLHHPRYFF-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.14
Rot. Bonds1

About 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid

4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid (PubChem CID 66899718) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid
PubChem CID66899718
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid
SMILESCC1c2cccc(O)c2CC1(C)C(=O)O
InChIInChI=1S/C12H14O3/c1-7-8-4-3-5-10(13)9(8)6-12(7,2)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyCOVIEOLHHPRYFF-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid (CID 66899718) is 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid is CC1c2cccc(O)c2CC1(C)C(=O)O.
What is the InChIKey of 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is COVIEOLHHPRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-8-4-3-5-10(13)9(8)6-12(7,2)11(14)15/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid?
4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,2-dimethyl-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 66899718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).