3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid

C25H26O4 — CID 22687022

IUPAC3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
SMILESCCc1ccc(OCCOc2cccc(CC(C(=O)O)c3ccccc3)c2)cc1
InChIInChI=1S/C25H26O4/c1-2-19-11-13-22(14-12-19)28-15-16-29-23-10-6-7-20(17-23)18-24(25(26)27)21-8-4-3-5-9-21/h3-14,17,24H,2,15-16,18H2,1H3,(H,26,27)
InChIKeyZOQJMUUVZWZTFA-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.12
Rot. Bonds10

About 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid

3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid (PubChem CID 22687022) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
PubChem CID22687022
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
SMILESCCc1ccc(OCCOc2cccc(CC(C(=O)O)c3ccccc3)c2)cc1
InChIInChI=1S/C25H26O4/c1-2-19-11-13-22(14-12-19)28-15-16-29-23-10-6-7-20(17-23)18-24(25(26)27)21-8-4-3-5-9-21/h3-14,17,24H,2,15-16,18H2,1H3,(H,26,27)
InChIKeyZOQJMUUVZWZTFA-UHFFFAOYSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic 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

2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951471
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-(4-ethylphenyl)-3-[3-(2-methylpropoxy)phenyl]propanoic acid
CID 83953697
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
2-(4-aminophenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951463
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
3-[3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 22687888
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
CID 69173726

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid (CID 22687022) is 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid is CCc1ccc(OCCOc2cccc(CC(C(=O)O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
The InChIKey is ZOQJMUUVZWZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-2-19-11-13-22(14-12-19)28-15-16-29-23-10-6-7-20(17-23)18-24(25(26)27)21-8-4-3-5-9-21/h3-14,17,24H,2,15-16,18H2,1H3,(H,26,27).
What are the key properties of 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 22687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).