3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid

C18H20O4 — CID 82094741

IUPAC3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccccc2OC)cc1
InChIInChI=1S/C18H20O4/c1-3-22-14-10-8-13(9-11-14)12-16(18(19)20)15-6-4-5-7-17(15)21-2/h4-11,16H,3,12H2,1-2H3,(H,19,20)
InChIKeyITZBYDZUJCFZAI-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.50
Rot. Bonds7

About 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid

3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 82094741) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
PubChem CID82094741
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccccc2OC)cc1
InChIInChI=1S/C18H20O4/c1-3-22-14-10-8-13(9-11-14)12-16(18(19)20)15-6-4-5-7-17(15)21-2/h4-11,16H,3,12H2,1-2H3,(H,19,20)
InChIKeyITZBYDZUJCFZAI-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid (CID 82094741) is 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid is CCOc1ccc(CC(C(=O)O)c2ccccc2OC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is ITZBYDZUJCFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-22-14-10-8-13(9-11-14)12-16(18(19)20)15-6-4-5-7-17(15)21-2/h4-11,16H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82094741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).