methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate

C11H14O4 — CID 117300134

IUPACmethyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
SMILESCOC(=O)C(O)c1ccc(C)c(O)c1C
InChIInChI=1S/C11H14O4/c1-6-4-5-8(7(2)9(6)12)10(13)11(14)15-3/h4-5,10,12-13H,1-3H3
InChIKeyPAZHZFAWXLYYPH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate

methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate (PubChem CID 117300134) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
PubChem CID117300134
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
SMILESCOC(=O)C(O)c1ccc(C)c(O)c1C
InChIInChI=1S/C11H14O4/c1-6-4-5-8(7(2)9(6)12)10(13)11(14)15-3/h4-5,10,12-13H,1-3H3
InChIKeyPAZHZFAWXLYYPH-UHFFFAOYSA-N
XLogP1.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
CID 117420065
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
CID 130900213
methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117434935
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
methyl 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117490300

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate (CID 117300134) is methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate is COC(=O)C(O)c1ccc(C)c(O)c1C.
What is the InChIKey of methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate?
The InChIKey is PAZHZFAWXLYYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-4-5-8(7(2)9(6)12)10(13)11(14)15-3/h4-5,10,12-13H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate?
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate has a molecular weight of 210.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate is sourced from PubChem (CID 117300134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).