3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid

C25H27NO4 — CID 138532242

IUPAC3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid
SMILESCCOCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C25H27NO4/c1-3-30-15-14-19-16-23(20-7-4-18(5-8-20)6-13-24(27)28)25(26-17-19)21-9-11-22(29-2)12-10-21/h4-5,7-12,16-17H,3,6,13-15H2,1-2H3,(H,27,28)
InChIKeyPQUYPKXJGKJDLF-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.02
Rot. Bonds10

About 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid

3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid (PubChem CID 138532242) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid
PubChem CID138532242
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid
SMILESCCOCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C25H27NO4/c1-3-30-15-14-19-16-23(20-7-4-18(5-8-20)6-13-24(27)28)25(26-17-19)21-9-11-22(29-2)12-10-21/h4-5,7-12,16-17H,3,6,13-15H2,1-2H3,(H,27,28)
InChIKeyPQUYPKXJGKJDLF-UHFFFAOYSA-N
XLogP5.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]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

4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
CID 138532493
4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-3-pyridinyl]benzoic acid;methyl 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-3-pyridinyl]benzoate
CID 160652206
3-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 22680504
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
CID 22559255
3-[4-[4-[4-[(4-methoxyphenyl)carbamoylamino]phenyl]thieno[3,2-d]pyrimidin-7-yl]phenyl]propanoic acid
CID 71498475
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
3-[4-[[4-(4-chloro-2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 143106406
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
3-[3,5-difluoro-4-[[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoic acid
CID 90418333
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid (CID 138532242) is 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid is CCOCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(CCC(=O)O)cc2)c1.
What is the InChIKey of 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid?
The InChIKey is PQUYPKXJGKJDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-30-15-14-19-16-23(20-7-4-18(5-8-20)6-13-24(27)28)25(26-17-19)21-9-11-22(29-2)12-10-21/h4-5,7-12,16-17H,3,6,13-15H2,1-2H3,(H,27,28).
What are the key properties of 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid?
3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid has a molecular weight of 405.49 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid is sourced from PubChem (CID 138532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).