methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate

C14H17NO3 — CID 18947616

IUPACmethyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C14H17NO3/c1-14(2,13(17)18-3)8-10-6-9-7-11(16)4-5-12(9)15-10/h4-7,15-16H,8H2,1-3H3
InChIKeyOOMPHGLUMDCGDT-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.62
Rot. Bonds3

About methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate

methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate (PubChem CID 18947616) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate
PubChem CID18947616
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C14H17NO3/c1-14(2,13(17)18-3)8-10-6-9-7-11(16)4-5-12(9)15-10/h4-7,15-16H,8H2,1-3H3
InChIKeyOOMPHGLUMDCGDT-UHFFFAOYSA-N
XLogP2.62
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate (CID 18947616) is methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1cc2cc(O)ccc2[nH]1.
What is the InChIKey of methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate?
The InChIKey is OOMPHGLUMDCGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,13(17)18-3)8-10-6-9-7-11(16)4-5-12(9)15-10/h4-7,15-16H,8H2,1-3H3.
What are the key properties of methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate?
methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate has a molecular weight of 247.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 18947616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).