2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid

C14H18O2 — CID 65407568

IUPAC2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H18O2/c1-10(2)7-14(13(15)16)8-11-5-3-4-6-12(11)9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyCFGAXYSHTWYLPP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid

2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 65407568) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID65407568
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H18O2/c1-10(2)7-14(13(15)16)8-11-5-3-4-6-12(11)9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyCFGAXYSHTWYLPP-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid (CID 65407568) is 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid is CC(C)CC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is CFGAXYSHTWYLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)7-14(13(15)16)8-11-5-3-4-6-12(11)9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid?
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 65407568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).