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

C17H17FO2 — CID 83955681

IUPAC2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)c(C)c1
InChIInChI=1S/C17H17FO2/c1-11-3-8-15(12(2)9-11)16(17(19)20)10-13-4-6-14(18)7-5-13/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyHEABGOMFPOUSNJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.85
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid (PubChem CID 83955681) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
PubChem CID83955681
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)c(C)c1
InChIInChI=1S/C17H17FO2/c1-11-3-8-15(12(2)9-11)16(17(19)20)10-13-4-6-14(18)7-5-13/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyHEABGOMFPOUSNJ-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770
2-(2,4-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83952854
3-(4-butoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83951936
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid (CID 83955681) is 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid is Cc1ccc(C(Cc2ccc(F)cc2)C(=O)O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid?
The InChIKey is HEABGOMFPOUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-3-8-15(12(2)9-11)16(17(19)20)10-13-4-6-14(18)7-5-13/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid?
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid has a molecular weight of 272.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 83955681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).