3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid

C19H22O5 — CID 82141853

IUPAC3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cc(OC)ccc2OC)C(=O)O)cc1
InChIInChI=1S/C19H22O5/c1-4-24-15-7-5-13(6-8-15)17(19(20)21)12-14-11-16(22-2)9-10-18(14)23-3/h5-11,17H,4,12H2,1-3H3,(H,20,21)
InChIKeyRUDWAFUENBNIDI-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.51
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid

3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid (PubChem CID 82141853) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
PubChem CID82141853
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cc(OC)ccc2OC)C(=O)O)cc1
InChIInChI=1S/C19H22O5/c1-4-24-15-7-5-13(6-8-15)17(19(20)21)12-14-11-16(22-2)9-10-18(14)23-3/h5-11,17H,4,12H2,1-3H3,(H,20,21)
InChIKeyRUDWAFUENBNIDI-UHFFFAOYSA-N
XLogP3.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)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-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid
CID 83956153
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 112721448
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid (CID 82141853) is 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(C(Cc2cc(OC)ccc2OC)C(=O)O)cc1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
The InChIKey is RUDWAFUENBNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-24-15-7-5-13(6-8-15)17(19(20)21)12-14-11-16(22-2)9-10-18(14)23-3/h5-11,17H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 82141853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).