2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid

C14H16O2 — CID 105469810

IUPAC2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
SMILESCc1cccc2c1C=C(C(C)(C)C(=O)O)C2
InChIInChI=1S/C14H16O2/c1-9-5-4-6-10-7-11(8-12(9)10)14(2,3)13(15)16/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyLHNBPGPHVIZEEH-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds2

About 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid

2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid (PubChem CID 105469810) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
PubChem CID105469810
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
SMILESCc1cccc2c1C=C(C(C)(C)C(=O)O)C2
InChIInChI=1S/C14H16O2/c1-9-5-4-6-10-7-11(8-12(9)10)14(2,3)13(15)16/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyLHNBPGPHVIZEEH-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(8-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
CID 105488188
methyl 4-methyl-1H-indene-2-carboxylate
CID 154531762
(4-methyl-1H-inden-2-yl)methanol
CID 22889025
N-methyl-2-(8-methyl-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105469208
2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
CID 105472702
2-(5-hydroxy-3,4-dihydronaphthalen-2-yl)-2-methylpropanoic acid
CID 105490841
4-methyl-2-propan-2-yl-1H-indene
CID 87188537
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
CID 105488183
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
CID 82092597
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid
CID 105481593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid (CID 105469810) is 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid is Cc1cccc2c1C=C(C(C)(C)C(=O)O)C2.
What is the InChIKey of 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid?
The InChIKey is LHNBPGPHVIZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-5-4-6-10-7-11(8-12(9)10)14(2,3)13(15)16/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid?
2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid is sourced from PubChem (CID 105469810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).