2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid

C12H16O3 — CID 121015128

IUPAC2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
SMILESCc1c(O)cc(C(C)C(=O)O)c(C)c1C
InChIInChI=1S/C12H16O3/c1-6-7(2)10(9(4)12(14)15)5-11(13)8(6)3/h5,9,13H,1-4H3,(H,14,15)
InChIKeyYEIUNZYLGCAPLD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.51
Rot. Bonds2

About 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid

2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid (PubChem CID 121015128) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
PubChem CID121015128
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
SMILESCc1c(O)cc(C(C)C(=O)O)c(C)c1C
InChIInChI=1S/C12H16O3/c1-6-7(2)10(9(4)12(14)15)5-11(13)8(6)3/h5,9,13H,1-4H3,(H,14,15)
InChIKeyYEIUNZYLGCAPLD-UHFFFAOYSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83903974
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
CID 67119258
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117400479
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid?
The IUPAC name of 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid (CID 121015128) is 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid?
The canonical SMILES for 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid is Cc1c(O)cc(C(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid?
The InChIKey is YEIUNZYLGCAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-6-7(2)10(9(4)12(14)15)5-11(13)8(6)3/h5,9,13H,1-4H3,(H,14,15).
What are the key properties of 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid?
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid is sourced from PubChem (CID 121015128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).