2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid

C15H22O2 — CID 116926970

IUPAC2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid
SMILESCc1ccc(CCC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C15H22O2/c1-10-6-7-13(12(3)11(10)2)8-9-15(4,5)14(16)17/h6-7H,8-9H2,1-5H3,(H,16,17)
InChIKeyLVKZCTRBZORHEN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.66
Rot. Bonds4

About 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid

2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid (PubChem CID 116926970) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid
PubChem CID116926970
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid
SMILESCc1ccc(CCC(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C15H22O2/c1-10-6-7-13(12(3)11(10)2)8-9-15(4,5)14(16)17/h6-7H,8-9H2,1-5H3,(H,16,17)
InChIKeyLVKZCTRBZORHEN-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-4-(2-methylphenyl)butanoic acid
CID 15063545
8-[3-(7-carboxy-7-methyloctyl)-2,4-dimethylphenyl]-2,2-dimethyloctanoic acid
CID 155596441
7-[2-(7,7-dimethyloctyl)-3,6-dimethylphenyl]-2,2-dimethylheptanoic acid
CID 158756383
8-[5-(7-carboxy-7-methyloctyl)-2,3,4-trimethylphenyl]-2,2-dimethyloctanoic acid
CID 155596473
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
1-[4-[3-(7-carboxy-7-methyloctyl)-2,6-dimethylphenyl]butyl]cyclopropane-1-carboxylic acid
CID 155596238
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
5-[5-(4-carboxy-4-methylpentyl)-2,4-dimethylphenyl]-2,2-dimethylpentanoic acid
CID 155596494
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
2-methyl-3-oxo-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanoic acid
CID 115164361
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
CID 115235084
3-methyl-2-[(2,3,4-trimethylphenyl)methyl]butanoic acid
CID 116930728

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid (CID 116926970) is 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid is Cc1ccc(CCC(C)(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid?
The InChIKey is LVKZCTRBZORHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-6-7-13(12(3)11(10)2)8-9-15(4,5)14(16)17/h6-7H,8-9H2,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid?
2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.66, 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-(2,3,4-trimethylphenyl)butanoic acid is sourced from PubChem (CID 116926970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).