methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate

C13H15NO4 — CID 117375650

IUPACmethyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate
SMILESCOC(=O)C(O)c1ccc2[nH]c(C)cc2c1OC
InChIInChI=1S/C13H15NO4/c1-7-6-9-10(14-7)5-4-8(12(9)17-2)11(15)13(16)18-3/h4-6,11,14-15H,1-3H3
InChIKeyHOLBILXCTUPLSJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.69
Rot. Bonds3

About methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate

methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate (PubChem CID 117375650) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate
PubChem CID117375650
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate
SMILESCOC(=O)C(O)c1ccc2[nH]c(C)cc2c1OC
InChIInChI=1S/C13H15NO4/c1-7-6-9-10(14-7)5-4-8(12(9)17-2)11(15)13(16)18-3/h4-6,11,14-15H,1-3H3
InChIKeyHOLBILXCTUPLSJ-UHFFFAOYSA-N
XLogP1.69
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.69
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-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
2-(4-methoxy-2-methyl-1H-indol-5-yl)-2-oxoacetic acid
CID 117337552
ethyl 2-(4-methoxy-2-methyl-1H-indol-5-yl)-2-oxoacetate
CID 117406959
3-(4-methoxy-2-methyl-1H-indol-5-yl)-3-methylbutanoic acid
CID 117407548
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
CID 117378480
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881
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-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
CID 62214666
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate (CID 117375650) is methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate is COC(=O)C(O)c1ccc2[nH]c(C)cc2c1OC.
What is the InChIKey of methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate?
The InChIKey is HOLBILXCTUPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7-6-9-10(14-7)5-4-8(12(9)17-2)11(15)13(16)18-3/h4-6,11,14-15H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate?
methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate is sourced from PubChem (CID 117375650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).