2,2-dimethyl-4-(2-methylphenyl)butanoic acid

C13H18O2 — CID 15063545

IUPAC2,2-dimethyl-4-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1CCC(C)(C)C(=O)O
InChIInChI=1S/C13H18O2/c1-10-6-4-5-7-11(10)8-9-13(2,3)12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyFLRHCEPOTXJEJM-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.04
Rot. Bonds4

About 2,2-dimethyl-4-(2-methylphenyl)butanoic acid

2,2-dimethyl-4-(2-methylphenyl)butanoic acid (PubChem CID 15063545) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylphenyl)butanoic acid
PubChem CID15063545
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,2-dimethyl-4-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1CCC(C)(C)C(=O)O
InChIInChI=1S/C13H18O2/c1-10-6-4-5-7-11(10)8-9-13(2,3)12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyFLRHCEPOTXJEJM-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-4-(2-methylphenyl)butanoic 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

2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116926970
2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 79630032
3-(2-methylphenyl)propane-1,1,1-triol
CID 141357716
2,2-dimethyl-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 79620791
5-[2-(4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanoic acid
CID 157308896
8-[2-(6-carboxy-6-methylheptyl)phenyl]-2,2-dimethyloctanoic acid;7-[2-(5-carboxy-5-methylhexyl)phenyl]-2,2-dimethylheptanoic acid;6-[2-(5-carboxy-5-methylhexyl)phenyl]-2,2-dimethylhexanoic acid;8-[2-(7-carboxy-7-methyloctyl)phenyl]-2,2-dimethyloctanoic acid;5-[2-(4-carboxy-4-methylpentyl)phenyl]-2,2-dimethylpentanoic acid;methane
CID 167622664
2-(2-methylphenyl)acetic acid
CID 67440217
5-[5-(4-carboxy-4-methylpentyl)-2,4-dimethylphenyl]-2,2-dimethylpentanoic acid
CID 155596494
2-amino-2-(hydroxymethyl)-5-(2-methylphenyl)pentanoic acid
CID 143046160
2,2-dimethyl-4-(2-methylphenoxy)butanoic acid
CID 65248196
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylphenyl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(2-methylphenyl)butanoic acid (CID 15063545) is 2,2-dimethyl-4-(2-methylphenyl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylphenyl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(2-methylphenyl)butanoic acid is Cc1ccccc1CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(2-methylphenyl)butanoic acid?
The InChIKey is FLRHCEPOTXJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-6-4-5-7-11(10)8-9-13(2,3)12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-4-(2-methylphenyl)butanoic acid?
2,2-dimethyl-4-(2-methylphenyl)butanoic acid has a molecular weight of 206.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylphenyl)butanoic acid is sourced from PubChem (CID 15063545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).