3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid

C12H15BrO4 — CID 103524126

IUPAC3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)c(OC)c1Br
InChIInChI=1S/C12H15BrO4/c1-7(12(14)15)6-8-4-5-9(16-2)10(13)11(8)17-3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyPXEFPGDJMYZTIQ-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.73
Rot. Bonds5

About 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid

3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid (PubChem CID 103524126) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
PubChem CID103524126
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)c(OC)c1Br
InChIInChI=1S/C12H15BrO4/c1-7(12(14)15)6-8-4-5-9(16-2)10(13)11(8)17-3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyPXEFPGDJMYZTIQ-UHFFFAOYSA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-2,4-dimethoxyphenyl)-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

Related Compounds

3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-(4-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117470123
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid (CID 103524126) is 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid is COc1ccc(CC(C)C(=O)O)c(OC)c1Br.
What is the InChIKey of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid?
The InChIKey is PXEFPGDJMYZTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-7(12(14)15)6-8-4-5-9(16-2)10(13)11(8)17-3/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid?
3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid has a molecular weight of 303.15 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 103524126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).