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

C12H14O2 — CID 70198956

IUPAC1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1Cc2ccccc2C1(C)C(=O)O
InChIInChI=1S/C12H14O2/c1-8-7-9-5-3-4-6-10(9)12(8,2)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyCDWVPUSVWMOBPD-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.22
Rot. Bonds1

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

1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 70198956) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID70198956
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1Cc2ccccc2C1(C)C(=O)O
InChIInChI=1S/C12H14O2/c1-8-7-9-5-3-4-6-10(9)12(8,2)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyCDWVPUSVWMOBPD-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid (CID 70198956) is 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid is CC1Cc2ccccc2C1(C)C(=O)O.
What is the InChIKey of 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is CDWVPUSVWMOBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-7-9-5-3-4-6-10(9)12(8,2)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid?
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 70198956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).