methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate

C12H13NO3 — CID 102912191

IUPACmethyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1ccc2cccc(CO)c21
InChIInChI=1S/C12H13NO3/c1-16-11(15)7-13-6-5-9-3-2-4-10(8-14)12(9)13/h2-6,14H,7-8H2,1H3
InChIKeyNIRXVNUVJYYPLK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.31
Rot. Bonds3

About methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate

methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate (PubChem CID 102912191) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
PubChem CID102912191
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1ccc2cccc(CO)c21
InChIInChI=1S/C12H13NO3/c1-16-11(15)7-13-6-5-9-3-2-4-10(8-14)12(9)13/h2-6,14H,7-8H2,1H3
InChIKeyNIRXVNUVJYYPLK-UHFFFAOYSA-N
XLogP1.31
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate (CID 102912191) is methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate is COC(=O)Cn1ccc2cccc(CO)c21.
What is the InChIKey of methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate?
The InChIKey is NIRXVNUVJYYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-11(15)7-13-6-5-9-3-2-4-10(8-14)12(9)13/h2-6,14H,7-8H2,1H3.
What are the key properties of methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate?
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate has a molecular weight of 219.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate is sourced from PubChem (CID 102912191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).