2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid

C10H10BrClO2 — CID 83745261

IUPAC2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14)
InChIKeyFAEQAHLWYCHSMJ-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.46
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid

2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid (PubChem CID 83745261) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
PubChem CID83745261
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14)
InChIKeyFAEQAHLWYCHSMJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-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

2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747
(2S)-2-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 130641100
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
3-(5-bromo-2-chlorophenyl)-2,2-dimethylpropanoic acid
CID 117471072
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 83745278
2-[1-(4-bromo-2-chlorophenyl)ethyl-ethylamino]-2-methylpropanoic acid
CID 82781208
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
CID 82778951

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid (CID 83745261) is 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is FAEQAHLWYCHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid?
2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 277.55 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83745261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).