3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid

C17H17BrO2 — CID 83952778

IUPAC3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccccc2Br)C(=O)O)c(C)c1
InChIInChI=1S/C17H17BrO2/c1-11-7-8-14(12(2)9-11)15(17(19)20)10-13-5-3-4-6-16(13)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyYYSGAELRUCPEIC-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.48
Rot. Bonds4

About 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid

3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid (PubChem CID 83952778) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
PubChem CID83952778
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccccc2Br)C(=O)O)c(C)c1
InChIInChI=1S/C17H17BrO2/c1-11-7-8-14(12(2)9-11)15(17(19)20)10-13-5-3-4-6-16(13)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyYYSGAELRUCPEIC-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
CID 79435789
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
2-(2,4-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83952854
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
3-(2-bromophenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanoic acid
CID 104572509
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid (CID 83952778) is 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid is Cc1ccc(C(Cc2ccccc2Br)C(=O)O)c(C)c1.
What is the InChIKey of 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid?
The InChIKey is YYSGAELRUCPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-7-8-14(12(2)9-11)15(17(19)20)10-13-5-3-4-6-16(13)18/h3-9,15H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid?
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid has a molecular weight of 333.23 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 83952778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).