4-ethoxy-2-(4-fluorophenyl)butanoic acid

C12H15FO3 — CID 79434800

IUPAC4-ethoxy-2-(4-fluorophenyl)butanoic acid
SMILESCCOCCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-2-16-8-7-11(12(14)15)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyJIUNKNDDFPZVOI-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.42
Rot. Bonds6

About 4-ethoxy-2-(4-fluorophenyl)butanoic acid

4-ethoxy-2-(4-fluorophenyl)butanoic acid (PubChem CID 79434800) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)butanoic acid
PubChem CID79434800
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name4-ethoxy-2-(4-fluorophenyl)butanoic acid
SMILESCCOCCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-2-16-8-7-11(12(14)15)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyJIUNKNDDFPZVOI-UHFFFAOYSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-(3-methylbutoxy)butanoic acid
CID 79434045
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
3-ethoxy-2-(4-fluorophenyl)propanoic acid
CID 103984158
2-(4-fluorophenyl)heptanoic acid
CID 79435490
2-(4-fluorophenyl)nonanoic acid
CID 79434490
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
2-(4-fluorophenyl)-4-phenylsulfanylbutanoic acid
CID 79435489
1-(1-bromo-4-ethoxybutan-2-yl)-4-fluorobenzene
CID 79434942
2-(4-fluorophenyl)hex-5-ynoic acid
CID 79434370
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112517412
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
5-ethoxy-2-(4-fluorophenyl)-3-oxopentanenitrile
CID 43156916

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)butanoic acid?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)butanoic acid (CID 79434800) is 4-ethoxy-2-(4-fluorophenyl)butanoic acid.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)butanoic acid?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)butanoic acid is CCOCCC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)butanoic acid?
The InChIKey is JIUNKNDDFPZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-2-16-8-7-11(12(14)15)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)butanoic acid?
4-ethoxy-2-(4-fluorophenyl)butanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)butanoic acid is sourced from PubChem (CID 79434800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).