2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid

C12H14O4 — CID 19372142

IUPAC2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
SMILESCOC(=O)c1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H14O4/c1-12(2,11(14)15)9-6-4-8(5-7-9)10(13)16-3/h4-7H,1-3H3,(H,14,15)
InChIKeyGLMTZVOJDOHLCK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.84
Rot. Bonds3

About 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid

2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid (PubChem CID 19372142) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
PubChem CID19372142
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
SMILESCOC(=O)c1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H14O4/c1-12(2,11(14)15)9-6-4-8(5-7-9)10(13)16-3/h4-7H,1-3H3,(H,14,15)
InChIKeyGLMTZVOJDOHLCK-UHFFFAOYSA-N
XLogP1.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid (CID 19372142) is 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid is COC(=O)c1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid?
The InChIKey is GLMTZVOJDOHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-12(2,11(14)15)9-6-4-8(5-7-9)10(13)16-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid?
2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 19372142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).