3-ethoxy-2-(4-fluorophenyl)propanoic acid

C11H13FO3 — CID 103984158

IUPAC3-ethoxy-2-(4-fluorophenyl)propanoic acid
SMILESCCOCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c1-2-15-7-10(11(13)14)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKeyIMTVUCCZLCEARX-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.03
Rot. Bonds5

About 3-ethoxy-2-(4-fluorophenyl)propanoic acid

3-ethoxy-2-(4-fluorophenyl)propanoic acid (PubChem CID 103984158) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-ethoxy-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-ethoxy-2-(4-fluorophenyl)propanoic acid
PubChem CID103984158
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-ethoxy-2-(4-fluorophenyl)propanoic acid
SMILESCCOCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c1-2-15-7-10(11(13)14)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKeyIMTVUCCZLCEARX-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-ethoxy-2-(4-fluorophenyl)propanoic acid (CID 103984158) is 3-ethoxy-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-ethoxy-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-ethoxy-2-(4-fluorophenyl)propanoic acid is CCOCC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-ethoxy-2-(4-fluorophenyl)propanoic acid?
The InChIKey is IMTVUCCZLCEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-15-7-10(11(13)14)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3,(H,13,14).
What are the key properties of 3-ethoxy-2-(4-fluorophenyl)propanoic acid?
3-ethoxy-2-(4-fluorophenyl)propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 103984158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).