3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid

C21H26O4 — CID 83952981

IUPAC3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccc(CC)cc2)c(OCC)c1
InChIInChI=1S/C21H26O4/c1-4-15-7-9-16(10-8-15)19(21(22)23)13-17-11-12-18(24-5-2)14-20(17)25-6-3/h7-12,14,19H,4-6,13H2,1-3H3,(H,22,23)
InChIKeyGYGCPGNHGJPNRG-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.46
Rot. Bonds9

About 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid

3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid (PubChem CID 83952981) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
PubChem CID83952981
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccc(CC)cc2)c(OCC)c1
InChIInChI=1S/C21H26O4/c1-4-15-7-9-16(10-8-15)19(21(22)23)13-17-11-12-18(24-5-2)14-20(17)25-6-3/h7-12,14,19H,4-6,13H2,1-3H3,(H,22,23)
InChIKeyGYGCPGNHGJPNRG-UHFFFAOYSA-N
XLogP4.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)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

3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(2-butoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83954499
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951471
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid (CID 83952981) is 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid is CCOc1ccc(CC(C(=O)O)c2ccc(CC)cc2)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The InChIKey is GYGCPGNHGJPNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-4-15-7-9-16(10-8-15)19(21(22)23)13-17-11-12-18(24-5-2)14-20(17)25-6-3/h7-12,14,19H,4-6,13H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid has a molecular weight of 342.44 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 83952981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).