2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid

C13H18O3 — CID 82114630

IUPAC2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid
SMILESCc1cc(C)c(C)c(C(C)(O)C(=O)O)c1C
InChIInChI=1S/C13H18O3/c1-7-6-8(2)10(4)11(9(7)3)13(5,16)12(14)15/h6,16H,1-5H3,(H,14,15)
InChIKeyJBOVJUCBPQWWNP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.21
Rot. Bonds2

About 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid

2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid (PubChem CID 82114630) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid
PubChem CID82114630
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid
SMILESCc1cc(C)c(C)c(C(C)(O)C(=O)O)c1C
InChIInChI=1S/C13H18O3/c1-7-6-8(2)10(4)11(9(7)3)13(5,16)12(14)15/h6,16H,1-5H3,(H,14,15)
InChIKeyJBOVJUCBPQWWNP-UHFFFAOYSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid (CID 82114630) is 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid is Cc1cc(C)c(C)c(C(C)(O)C(=O)O)c1C.
What is the InChIKey of 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid?
The InChIKey is JBOVJUCBPQWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-7-6-8(2)10(4)11(9(7)3)13(5,16)12(14)15/h6,16H,1-5H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid?
2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2,3,5,6-tetramethylphenyl)propanoic acid is sourced from PubChem (CID 82114630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).