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

C32H34FNO4 — CID 10164735

IUPAC2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(C(C)C)cc(-c3ccccc3)c2-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C32H34FNO4/c1-4-37-30(32(35)36)20-23-10-16-27(17-11-23)38-19-18-34-29(22(2)3)21-28(24-8-6-5-7-9-24)31(34)25-12-14-26(33)15-13-25/h5-17,21-22,30H,4,18-20H2,1-3H3,(H,35,36)
InChIKeyNTQFKQRYDOJPPG-UHFFFAOYSA-N
MW515.63 g/mol
LogP7.20
Rot. Bonds12

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

2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 10164735) has the molecular formula C32H34FNO4 and a molecular weight of 515.63 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID10164735
Molecular FormulaC32H34FNO4
Molecular Weight515.63 g/mol
Exact Mass515.25
IUPAC Name2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(C(C)C)cc(-c3ccccc3)c2-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C32H34FNO4/c1-4-37-30(32(35)36)20-23-10-16-27(17-11-23)38-19-18-34-29(22(2)3)21-28(24-8-6-5-7-9-24)31(34)25-12-14-26(33)15-13-25/h5-17,21-22,30H,4,18-20H2,1-3H3,(H,35,36)
InChIKeyNTQFKQRYDOJPPG-UHFFFAOYSA-N
XLogP7.20
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.63
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-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

Related Compounds

Saroglitazar
CID 60151560
(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid
CID 446758
3-{4-[2-(3-Bromo-carbazol-9-yl)-ethoxy]-phenyl}-2-ethoxy-propionic acid
CID 10896153
3-{4-[2-(3,6-Dibromo-carbazol-9-yl)-ethoxy]-phenyl}-2-ethoxy-propionic acid
CID 11049998
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,6-trifluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183687
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,4,5-tetrafluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183689
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,4,6-tetrafluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 87131159
3-[3,5-Difluoro-4-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]-2-methylpropanoic acid
CID 90406418
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183685
4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(2-methoxyphenyl)butoxy]phenyl]ethenyl]-2-methylindol-3-yl]butanoic acid
CID 122183686
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,5,6-tetrafluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
CID 122183688
4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethenyl]-2-methylindol-3-yl]butanoic acid
CID 122183690

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (CID 10164735) is 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCn2c(C(C)C)cc(-c3ccccc3)c2-c2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is NTQFKQRYDOJPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FNO4/c1-4-37-30(32(35)36)20-23-10-16-27(17-11-23)38-19-18-34-29(22(2)3)21-28(24-8-6-5-7-9-24)31(34)25-12-14-26(33)15-13-25/h5-17,21-22,30H,4,18-20H2,1-3H3,(H,35,36).
What are the key properties of 2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 515.63 g/mol, XLogP of 7.20, 12 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)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10164735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).