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

C20H24O4 — CID 83951268

IUPAC3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCOc1cc(CC(C(=O)O)c2ccc(CC)cc2)ccc1OC
InChIInChI=1S/C20H24O4/c1-4-14-6-9-16(10-7-14)17(20(21)22)12-15-8-11-18(23-3)19(13-15)24-5-2/h6-11,13,17H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyWRGYYJNZIRVHRW-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.07
Rot. Bonds8

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

3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid (PubChem CID 83951268) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
PubChem CID83951268
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCOc1cc(CC(C(=O)O)c2ccc(CC)cc2)ccc1OC
InChIInChI=1S/C20H24O4/c1-4-14-6-9-16(10-7-14)17(20(21)22)12-15-8-11-18(23-3)19(13-15)24-5-2/h6-11,13,17H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyWRGYYJNZIRVHRW-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20988635
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 84752900
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid (CID 83951268) is 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid is CCOc1cc(CC(C(=O)O)c2ccc(CC)cc2)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The InChIKey is WRGYYJNZIRVHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-14-6-9-16(10-7-14)17(20(21)22)12-15-8-11-18(23-3)19(13-15)24-5-2/h6-11,13,17H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid?
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 83951268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).