5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid

C22H21FO4 — CID 16760291

IUPAC5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1
InChIInChI=1S/C22H21FO4/c23-18-8-4-17(5-9-18)14-15-26-19-10-6-16(7-11-19)2-1-3-20-12-13-21(27-20)22(24)25/h4-13H,1-3,14-15H2,(H,24,25)
InChIKeyMPLLLQUZNJSVTK-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.91
Rot. Bonds9

About 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid

5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid (PubChem CID 16760291) has the molecular formula C22H21FO4 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid
PubChem CID16760291
Molecular FormulaC22H21FO4
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1
InChIInChI=1S/C22H21FO4/c23-18-8-4-17(5-9-18)14-15-26-19-10-6-16(7-11-19)2-1-3-20-12-13-21(27-20)22(24)25/h4-13H,1-3,14-15H2,(H,24,25)
InChIKeyMPLLLQUZNJSVTK-UHFFFAOYSA-N
XLogP4.91
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid (CID 16760291) is 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid is O=C(O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1.
What is the InChIKey of 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid?
The InChIKey is MPLLLQUZNJSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FO4/c23-18-8-4-17(5-9-18)14-15-26-19-10-6-16(7-11-19)2-1-3-20-12-13-21(27-20)22(24)25/h4-13H,1-3,14-15H2,(H,24,25).
What are the key properties of 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid?
5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid has a molecular weight of 368.40 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]propyl]furan-2-carboxylic acid is sourced from PubChem (CID 16760291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).