2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid

C12H16O4 — CID 117321884

IUPAC2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
SMILESCOc1cc(C)c(C(C)C(=O)O)c(O)c1C
InChIInChI=1S/C12H16O4/c1-6-5-9(16-4)7(2)11(13)10(6)8(3)12(14)15/h5,8,13H,1-4H3,(H,14,15)
InChIKeyOLGPFJIJSJKDDC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid

2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid (PubChem CID 117321884) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
PubChem CID117321884
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
SMILESCOc1cc(C)c(C(C)C(=O)O)c(O)c1C
InChIInChI=1S/C12H16O4/c1-6-5-9(16-4)7(2)11(13)10(6)8(3)12(14)15/h5,8,13H,1-4H3,(H,14,15)
InChIKeyOLGPFJIJSJKDDC-UHFFFAOYSA-N
XLogP2.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)acetate
CID 117388878
2-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117400482
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574
(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate
CID 87860569
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
CID 84783347
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)propanoic acid
CID 84792444
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117463086
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid (CID 117321884) is 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid is COc1cc(C)c(C(C)C(=O)O)c(O)c1C.
What is the InChIKey of 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid?
The InChIKey is OLGPFJIJSJKDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-6-5-9(16-4)7(2)11(13)10(6)8(3)12(14)15/h5,8,13H,1-4H3,(H,14,15).
What are the key properties of 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid?
2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117321884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).