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

C19H22O4 — CID 165353920

IUPAC3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccccc2C)cc1OC
InChIInChI=1S/C19H22O4/c1-4-23-17-10-9-14(12-18(17)22-3)11-16(19(20)21)15-8-6-5-7-13(15)2/h5-10,12,16H,4,11H2,1-3H3,(H,20,21)
InChIKeyYGLDEFVHKKTBMX-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.81
Rot. Bonds7

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

3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid (PubChem CID 165353920) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
PubChem CID165353920
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccccc2C)cc1OC
InChIInChI=1S/C19H22O4/c1-4-23-17-10-9-14(12-18(17)22-3)11-16(19(20)21)15-8-6-5-7-13(15)2/h5-10,12,16H,4,11H2,1-3H3,(H,20,21)
InChIKeyYGLDEFVHKKTBMX-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

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Related Compounds

2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 83951966
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
CID 83954162
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid (CID 165353920) is 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid is CCOc1ccc(CC(C(=O)O)c2ccccc2C)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid?
The InChIKey is YGLDEFVHKKTBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-23-17-10-9-14(12-18(17)22-3)11-16(19(20)21)15-8-6-5-7-13(15)2/h5-10,12,16H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid?
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)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 3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 165353920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).