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

C12H16O4 — CID 4129569

IUPAC2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
SMILESCc1cc(OC(C)C(=O)O)c(C)c(C)c1O
InChIInChI=1S/C12H16O4/c1-6-5-10(16-9(4)12(14)15)7(2)8(3)11(6)13/h5,9,13H,1-4H3,(H,14,15)
InChIKeyOWLOBKGWOQDOSJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.17
Rot. Bonds3

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

2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid (PubChem CID 4129569) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
PubChem CID4129569
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
SMILESCc1cc(OC(C)C(=O)O)c(C)c(C)c1O
InChIInChI=1S/C12H16O4/c1-6-5-10(16-9(4)12(14)15)7(2)8(3)11(6)13/h5,9,13H,1-4H3,(H,14,15)
InChIKeyOWLOBKGWOQDOSJ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
2-(3-hydroxy-4-methylphenoxy)propanoic acid
CID 90064680
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
2-(4-acetyloxy-2-methylphenoxy)propanoic acid
CID 170549700
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
carbonic acid;2,3,5-trimethylbenzene-1,4-diol
CID 174747915
2-(2,4-dimethyl-5-nitrophenoxy)propanoic acid
CID 70074643
4-(2-bromoethoxy)-2,3,6-trimethylphenol
CID 10539183

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid?
The IUPAC name of 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid (CID 4129569) is 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid is Cc1cc(OC(C)C(=O)O)c(C)c(C)c1O.
What is the InChIKey of 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid?
The InChIKey is OWLOBKGWOQDOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-6-5-10(16-9(4)12(14)15)7(2)8(3)11(6)13/h5,9,13H,1-4H3,(H,14,15).
What are the key properties of 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid?
2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid is sourced from PubChem (CID 4129569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).