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

C23H25NO4 — CID 10156579

IUPAC2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid
SMILESCOC(Cc1ccc(OCCn2c(C)ccc2-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C23H25NO4/c1-17-8-13-21(19-6-4-3-5-7-19)24(17)14-15-28-20-11-9-18(10-12-20)16-22(27-2)23(25)26/h3-13,22H,14-16H2,1-2H3,(H,25,26)
InChIKeyFFAZDSKHAINDSS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.18
Rot. Bonds9

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

2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid (PubChem CID 10156579) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid
PubChem CID10156579
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid
SMILESCOC(Cc1ccc(OCCn2c(C)ccc2-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C23H25NO4/c1-17-8-13-21(19-6-4-3-5-7-19)24(17)14-15-28-20-11-9-18(10-12-20)16-22(27-2)23(25)26/h3-13,22H,14-16H2,1-2H3,(H,25,26)
InChIKeyFFAZDSKHAINDSS-UHFFFAOYSA-N
XLogP4.18
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Analyze 2-methoxy-3-[4-[2-(2-methyl-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-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid (CID 10156579) is 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid is COC(Cc1ccc(OCCn2c(C)ccc2-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid?
The InChIKey is FFAZDSKHAINDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-17-8-13-21(19-6-4-3-5-7-19)24(17)14-15-28-20-11-9-18(10-12-20)16-22(27-2)23(25)26/h3-13,22H,14-16H2,1-2H3,(H,25,26).
What are the key properties of 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid?
2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10156579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).