2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid

C17H17FO2 — CID 82139843

IUPAC2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
SMILESCc1ccc(C)c(C(Cc2ccccc2F)C(=O)O)c1
InChIInChI=1S/C17H17FO2/c1-11-7-8-12(2)14(9-11)15(17(19)20)10-13-5-3-4-6-16(13)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyCUHCYRCVZMOUNC-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.85
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid

2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 82139843) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
PubChem CID82139843
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
SMILESCc1ccc(C)c(C(Cc2ccccc2F)C(=O)O)c1
InChIInChI=1S/C17H17FO2/c1-11-7-8-12(2)14(9-11)15(17(19)20)10-13-5-3-4-6-16(13)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyCUHCYRCVZMOUNC-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

2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778
2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid (CID 82139843) is 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid is Cc1ccc(C)c(C(Cc2ccccc2F)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is CUHCYRCVZMOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-7-8-12(2)14(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 2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid?
2-(2,5-dimethylphenyl)-3-(2-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-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 82139843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).