2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid

C29H28FNO4 — CID 10116285

IUPAC2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(-c3ccccc3)ccc2-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C29H28FNO4/c1-2-34-28(29(32)33)20-21-8-14-25(15-9-21)35-19-18-31-26(22-6-4-3-5-7-22)16-17-27(31)23-10-12-24(30)13-11-23/h3-17,28H,2,18-20H2,1H3,(H,32,33)
InChIKeyGPARKEJZVNFADP-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.07
Rot. Bonds11

About 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 10116285) has the molecular formula C29H28FNO4 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID10116285
Molecular FormulaC29H28FNO4
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(-c3ccccc3)ccc2-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C29H28FNO4/c1-2-34-28(29(32)33)20-21-8-14-25(15-9-21)35-19-18-31-26(22-6-4-3-5-7-22)16-17-27(31)23-10-12-24(30)13-11-23/h3-17,28H,2,18-20H2,1H3,(H,32,33)
InChIKeyGPARKEJZVNFADP-UHFFFAOYSA-N
XLogP6.07
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (CID 10116285) is 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCn2c(-c3ccccc3)ccc2-c2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is GPARKEJZVNFADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO4/c1-2-34-28(29(32)33)20-21-8-14-25(15-9-21)35-19-18-31-26(22-6-4-3-5-7-22)16-17-27(31)23-10-12-24(30)13-11-23/h3-17,28H,2,18-20H2,1H3,(H,32,33).
What are the key properties of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 473.54 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-5-phenylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10116285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).