2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid

C11H11FO4 — CID 117324862

IUPAC2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid
SMILESCOC(=O)c1ccc(C(C)C(=O)O)c(F)c1
InChIInChI=1S/C11H11FO4/c1-6(10(13)14)8-4-3-7(5-9(8)12)11(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyJRIXZBHVVIDGNL-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.80
Rot. Bonds3

About 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid

2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid (PubChem CID 117324862) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid
PubChem CID117324862
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid
SMILESCOC(=O)c1ccc(C(C)C(=O)O)c(F)c1
InChIInChI=1S/C11H11FO4/c1-6(10(13)14)8-4-3-7(5-9(8)12)11(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyJRIXZBHVVIDGNL-UHFFFAOYSA-N
XLogP1.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-4-methoxycarbonylphenyl)-2,3-dihydroxypropanoic acid
CID 170824508
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 3-fluoro-4-(2-hydroxypropyl)benzoate
CID 117302793
(2-fluoro-4-methoxycarbonylphenyl)-trimethylazanium
CID 59847662
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029
methyl 3-fluoro-4-isocyanobenzoate
CID 55265438
methyl 3-fluoro-4-prop-1-en-2-ylbenzoate
CID 118196123
methyl 4-(1-iodoethyl)-3-methylbenzoate
CID 167035642
methyl 3-(4-amino-1,2-dihydroxybutyl)-4-fluorobenzoate
CID 171881807
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid?
The IUPAC name of 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid (CID 117324862) is 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid?
The canonical SMILES for 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid is COC(=O)c1ccc(C(C)C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid?
The InChIKey is JRIXZBHVVIDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-6(10(13)14)8-4-3-7(5-9(8)12)11(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid?
2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid has a molecular weight of 226.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxycarbonylphenyl)propanoic acid is sourced from PubChem (CID 117324862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).