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

C24H24O5 — CID 22687005

IUPAC3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
SMILESCOc1ccc(OCCOc2cccc(CC(C(=O)O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24O5/c1-27-20-10-12-21(13-11-20)28-14-15-29-22-9-5-6-18(16-22)17-23(24(25)26)19-7-3-2-4-8-19/h2-13,16,23H,14-15,17H2,1H3,(H,25,26)
InChIKeyGSLMABJPYTZCQC-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.56
Rot. Bonds10

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

3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid (PubChem CID 22687005) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
PubChem CID22687005
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
SMILESCOc1ccc(OCCOc2cccc(CC(C(=O)O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24O5/c1-27-20-10-12-21(13-11-20)28-14-15-29-22-9-5-6-18(16-22)17-23(24(25)26)19-7-3-2-4-8-19/h2-13,16,23H,14-15,17H2,1H3,(H,25,26)
InChIKeyGSLMABJPYTZCQC-UHFFFAOYSA-N
XLogP4.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[2-(4-methoxyphenoxy)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

3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687022
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951471
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
2-(4-aminophenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951463
3-[3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 22687888
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid (CID 22687005) is 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid is COc1ccc(OCCOc2cccc(CC(C(=O)O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
The InChIKey is GSLMABJPYTZCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-27-20-10-12-21(13-11-20)28-14-15-29-22-9-5-6-18(16-22)17-23(24(25)26)19-7-3-2-4-8-19/h2-13,16,23H,14-15,17H2,1H3,(H,25,26).
What are the key properties of 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid?
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid has a molecular weight of 392.45 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 22687005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).