3-[2-(3-fluorophenyl)ethoxy]propanoic acid

C11H13FO3 — CID 59296248

IUPAC3-[2-(3-fluorophenyl)ethoxy]propanoic acid
SMILESO=C(O)CCOCCc1cccc(F)c1
InChIInChI=1S/C11H13FO3/c12-10-3-1-2-9(8-10)4-6-15-7-5-11(13)14/h1-3,8H,4-7H2,(H,13,14)
InChIKeyPYYACKWQMKJPLS-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.86
Rot. Bonds6

About 3-[2-(3-fluorophenyl)ethoxy]propanoic acid

3-[2-(3-fluorophenyl)ethoxy]propanoic acid (PubChem CID 59296248) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethoxy]propanoic acid
PubChem CID59296248
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-[2-(3-fluorophenyl)ethoxy]propanoic acid
SMILESO=C(O)CCOCCc1cccc(F)c1
InChIInChI=1S/C11H13FO3/c12-10-3-1-2-9(8-10)4-6-15-7-5-11(13)14/h1-3,8H,4-7H2,(H,13,14)
InChIKeyPYYACKWQMKJPLS-UHFFFAOYSA-N
XLogP1.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(3-fluorophenyl)ethoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[3-(trifluoromethyl)phenyl]ethoxy]propanoic acid
CID 59296246
3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
CID 94768590
8-[(3-fluorophenyl)methoxy]octanoic acid
CID 66874952
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
3-[2-(4-bromophenyl)ethoxy]propanoic acid
CID 68701118
3-[2-(2-benzothiophen-5-yl)ethoxy]propanoic acid
CID 66751349
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328410

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(3-fluorophenyl)ethoxy]propanoic acid (CID 59296248) is 3-[2-(3-fluorophenyl)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethoxy]propanoic acid is O=C(O)CCOCCc1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethoxy]propanoic acid?
The InChIKey is PYYACKWQMKJPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-3-1-2-9(8-10)4-6-15-7-5-11(13)14/h1-3,8H,4-7H2,(H,13,14).
What are the key properties of 3-[2-(3-fluorophenyl)ethoxy]propanoic acid?
3-[2-(3-fluorophenyl)ethoxy]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethoxy]propanoic acid is sourced from PubChem (CID 59296248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).