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

C20H24O4 — CID 83955882

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccccc2OCC)C(=O)O)c(C)c1
InChIInChI=1S/C20H24O4/c1-4-23-16-10-11-17(14(3)12-16)18(20(21)22)13-15-8-6-7-9-19(15)24-5-2/h6-12,18H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyYEKUVCRETZIJPY-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.20
Rot. Bonds8

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

2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid (PubChem CID 83955882) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
PubChem CID83955882
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccccc2OCC)C(=O)O)c(C)c1
InChIInChI=1S/C20H24O4/c1-4-23-16-10-11-17(14(3)12-16)18(20(21)22)13-15-8-6-7-9-19(15)24-5-2/h6-12,18H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyYEKUVCRETZIJPY-UHFFFAOYSA-N
XLogP4.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 83956080
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
2-(3-ethoxyphenyl)-3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 83952378
3-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 22681442
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955898
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid (CID 83955882) is 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid is CCOc1ccc(C(Cc2ccccc2OCC)C(=O)O)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid?
The InChIKey is YEKUVCRETZIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-23-16-10-11-17(14(3)12-16)18(20(21)22)13-15-8-6-7-9-19(15)24-5-2/h6-12,18H,4-5,13H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid?
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.20, 8 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-(2-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 83955882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).