2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid

C19H22O4 — CID 83955405

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cccc(OC)c2)C(=O)O)c(C)c1
InChIInChI=1S/C19H22O4/c1-4-23-16-8-9-17(13(2)10-16)18(19(20)21)12-14-6-5-7-15(11-14)22-3/h5-11,18H,4,12H2,1-3H3,(H,20,21)
InChIKeyDANMRVOUZFJCCW-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.81
Rot. Bonds7

About 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid

2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 83955405) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
PubChem CID83955405
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cccc(OC)c2)C(=O)O)c(C)c1
InChIInChI=1S/C19H22O4/c1-4-23-16-8-9-17(13(2)10-16)18(19(20)21)12-14-6-5-7-15(11-14)22-3/h5-11,18H,4,12H2,1-3H3,(H,20,21)
InChIKeyDANMRVOUZFJCCW-UHFFFAOYSA-N
XLogP3.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)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

2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 83956080
3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83956081
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554
2-(2-methyl-4-propoxyphenyl)-3-(3-nitrophenyl)propanoic acid
CID 112721288
2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
CID 83954789
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid (CID 83955405) is 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid is CCOc1ccc(C(Cc2cccc(OC)c2)C(=O)O)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is DANMRVOUZFJCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-23-16-8-9-17(13(2)10-16)18(19(20)21)12-14-6-5-7-15(11-14)22-3/h5-11,18H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid?
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83955405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).