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

C12H16O4 — CID 11183680

IUPAC2-ethoxy-3-(4-methoxyphenyl)propanoic acid
SMILESCCOC(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H16O4/c1-3-16-11(12(13)14)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyUYUFINJYHZNLQT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.73
Rot. Bonds6

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

2-ethoxy-3-(4-methoxyphenyl)propanoic acid (PubChem CID 11183680) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-methoxyphenyl)propanoic acid
PubChem CID11183680
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-ethoxy-3-(4-methoxyphenyl)propanoic acid
SMILESCCOC(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H16O4/c1-3-16-11(12(13)14)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyUYUFINJYHZNLQT-UHFFFAOYSA-N
XLogP1.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-ethoxy-3-(4-iodophenyl)propanoic acid
CID 133245448
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
2-ethoxy-3-[4-[2-[(4-methoxyphenoxy)carbonyl-pentylamino]ethoxy]phenyl]propanoic acid
CID 22231869
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid
CID 123610718
(2S)-3-[4-[(Z)-5-(3,5-dimethoxyphenyl)pent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid
CID 87842963

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-methoxyphenyl)propanoic acid (CID 11183680) is 2-ethoxy-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-methoxyphenyl)propanoic acid is CCOC(Cc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is UYUFINJYHZNLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-16-11(12(13)14)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-3-(4-methoxyphenyl)propanoic acid?
2-ethoxy-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 11183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).