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

C11H14O5 — CID 117325047

IUPAC3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(O)c1OC
InChIInChI=1S/C11H14O5/c1-15-8-5-3-7(4-6-9(12)13)10(14)11(8)16-2/h3,5,14H,4,6H2,1-2H3,(H,12,13)
InChIKeyQLACLEPYLWLNTD-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.43
Rot. Bonds5

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

3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid (PubChem CID 117325047) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
PubChem CID117325047
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(O)c1OC
InChIInChI=1S/C11H14O5/c1-15-8-5-3-7(4-6-9(12)13)10(14)11(8)16-2/h3,5,14H,4,6H2,1-2H3,(H,12,13)
InChIKeyQLACLEPYLWLNTD-UHFFFAOYSA-N
XLogP1.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84810610
3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
CID 117325049
4-(4-chloro-2-hydroxy-3-methoxyphenyl)butanoic acid
CID 117363741
3-[4-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]propanoic acid
CID 153427175
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
3-(7-methoxy-2-methyl-1-benzofuran-4-yl)propanoic acid
CID 68629882
3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
3-(2-iodo-3,4,5-trimethoxyphenyl)propanoic acid
CID 122391909
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid (CID 117325047) is 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid is COc1ccc(CCC(=O)O)c(O)c1OC.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid?
The InChIKey is QLACLEPYLWLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-8-5-3-7(4-6-9(12)13)10(14)11(8)16-2/h3,5,14H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid?
3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 117325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).