3-(2,4-dimethoxyphenyl)propanoic acid

C11H14O4 — CID 3870215

IUPAC3-(2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyNVDCWSFMCUWKAL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)propanoic acid

3-(2,4-dimethoxyphenyl)propanoic acid (PubChem CID 3870215) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)propanoic acid
PubChem CID3870215
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-(2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyNVDCWSFMCUWKAL-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)propanoic acid (CID 3870215) is 3-(2,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)propanoic acid is COc1ccc(CCC(=O)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)propanoic acid?
The InChIKey is NVDCWSFMCUWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,4-dimethoxyphenyl)propanoic acid?
3-(2,4-dimethoxyphenyl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 3870215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).