2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid

C10H10BrClO2 — CID 83745278

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

About 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid

2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid (PubChem CID 83745278) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
PubChem CID83745278
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO2/c1-10(2,9(13)14)6-3-4-8(12)7(11)5-6/h3-5H,1-2H3,(H,13,14)
InChIKeyVNXMYMLXTCGVKW-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid (CID 83745278) is 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is VNXMYMLXTCGVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-10(2,9(13)14)6-3-4-8(12)7(11)5-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid?
2-(3-bromo-4-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-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83745278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).