3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid

C11H14O5 — CID 117325049

IUPAC3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(O)c(CCC(=O)O)c1OC
InChIInChI=1S/C11H14O5/c1-15-9-5-4-8(12)7(11(9)16-2)3-6-10(13)14/h4-5,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyKIELYKWETJMFEJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.43
Rot. Bonds5

About 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid

3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid (PubChem CID 117325049) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
PubChem CID117325049
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(O)c(CCC(=O)O)c1OC
InChIInChI=1S/C11H14O5/c1-15-9-5-4-8(12)7(11(9)16-2)3-6-10(13)14/h4-5,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyKIELYKWETJMFEJ-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-(6-hydroxy-2,3-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-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117406006
3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
CID 117325047
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
3-[4-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]propanoic acid
CID 153427175
3-(2,3-difluoro-5,6-dimethoxyphenyl)propanoic acid
CID 117367256
3-(3,6-dimethoxy-2-methylsulfanylphenyl)propanoic acid
CID 117394374
4-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]butanoic acid
CID 117471835
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84806650
2-(2-carboxyethyl)-6-fluoro-3-methoxybenzoic acid
CID 82159379
3-(2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84775687
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid?
The IUPAC name of 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid (CID 117325049) is 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid is COc1ccc(O)c(CCC(=O)O)c1OC.
What is the InChIKey of 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid?
The InChIKey is KIELYKWETJMFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-9-5-4-8(12)7(11(9)16-2)3-6-10(13)14/h4-5,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid?
3-(6-hydroxy-2,3-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-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 117325049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).