2-(3-bromophenyl)-2-methylpropanoic acid

C10H11BrO2 — CID 12805128

IUPAC2-(3-bromophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKeyPZQVCFYGWRPVLE-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-bromophenyl)-2-methylpropanoic acid

2-(3-bromophenyl)-2-methylpropanoic acid (PubChem CID 12805128) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methylpropanoic acid
PubChem CID12805128
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-(3-bromophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKeyPZQVCFYGWRPVLE-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-bromophenyl)-2-methylpropanoic acid (CID 12805128) is 2-(3-bromophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-bromophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-bromophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-methylpropanoic acid?
The InChIKey is PZQVCFYGWRPVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(3-bromophenyl)-2-methylpropanoic acid?
2-(3-bromophenyl)-2-methylpropanoic acid has a molecular weight of 243.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 12805128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).