3-(4-bromophenyl)-2,2-dimethylpropanoic acid

C11H13BrO2 — CID 21186282

IUPAC3-(4-bromophenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyWOROXVNNDXPWCP-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.10
Rot. Bonds3

About 3-(4-bromophenyl)-2,2-dimethylpropanoic acid

3-(4-bromophenyl)-2,2-dimethylpropanoic acid (PubChem CID 21186282) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,2-dimethylpropanoic acid
PubChem CID21186282
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name3-(4-bromophenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyWOROXVNNDXPWCP-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-bromophenyl)-2,2-dimethylpropanoic acid (CID 21186282) is 3-(4-bromophenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-bromophenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-bromophenyl)-2,2-dimethylpropanoic acid is CC(C)(Cc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 3-(4-bromophenyl)-2,2-dimethylpropanoic acid?
The InChIKey is WOROXVNNDXPWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-bromophenyl)-2,2-dimethylpropanoic acid?
3-(4-bromophenyl)-2,2-dimethylpropanoic acid has a molecular weight of 257.13 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 21186282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).