2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid

C14H18O2 — CID 105472702

IUPAC2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
SMILESCc1cccc2c1CC(C(C)(C)C(=O)O)C2
InChIInChI=1S/C14H18O2/c1-9-5-4-6-10-7-11(8-12(9)10)14(2,3)13(15)16/h4-6,11H,7-8H2,1-3H3,(H,15,16)
InChIKeyRMTOONTXTGCDJQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid

2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid (PubChem CID 105472702) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
PubChem CID105472702
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
SMILESCc1cccc2c1CC(C(C)(C)C(=O)O)C2
InChIInChI=1S/C14H18O2/c1-9-5-4-6-10-7-11(8-12(9)10)14(2,3)13(15)16/h4-6,11H,7-8H2,1-3H3,(H,15,16)
InChIKeyRMTOONTXTGCDJQ-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
CID 105474227
2-(4-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
CID 105479063
ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde
CID 143584856
2-methyl-2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117199471
2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
CID 105469810
2-(8-methyl-3-oxo-2,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 121369235
2-methyl-2-(8-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
CID 105488188
ethane;4-methyl-2-propan-2-yl-2,3-dihydro-1H-indene
CID 177160201
3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117198325
2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propan-1-ol
CID 105444501
N-cyclopropyl-4-methyl-2,3-dihydro-1H-inden-2-amine
CID 83829023
1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 112715912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid (CID 105472702) is 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid is Cc1cccc2c1CC(C(C)(C)C(=O)O)C2.
What is the InChIKey of 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid?
The InChIKey is RMTOONTXTGCDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-5-4-6-10-7-11(8-12(9)10)14(2,3)13(15)16/h4-6,11H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid?
2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid has a molecular weight of 218.30 g/mol, XLogP of 2.82, 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-2,3-dihydro-1H-inden-2-yl)propanoic acid is sourced from PubChem (CID 105472702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).