ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate

C13H15NO3 — CID 168930983

IUPACethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
SMILES[2H]C([2H])([2H])Oc1ccc2c(CC(=O)OCC)c[nH]c2c1
InChIInChI=1S/C13H15NO3/c1-3-17-13(15)6-9-8-14-12-7-10(16-2)4-5-11(9)12/h4-5,7-8,14H,3,6H2,1-2H3/i2D3
InChIKeyZTMZTUTWHBPKRS-BMSJAHLVSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds5

About ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate

ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate (PubChem CID 168930983) has the molecular formula C13H15NO3 and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
PubChem CID168930983
Molecular FormulaC13H15NO3
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
SMILES[2H]C([2H])([2H])Oc1ccc2c(CC(=O)OCC)c[nH]c2c1
InChIInChI=1S/C13H15NO3/c1-3-17-13(15)6-9-8-14-12-7-10(16-2)4-5-11(9)12/h4-5,7-8,14H,3,6H2,1-2H3/i2D3
InChIKeyZTMZTUTWHBPKRS-BMSJAHLVSA-N
XLogP2.28
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
CID 137332505
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
diethyl 2-[(6-methoxy-1H-indol-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
CID 102154801
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate
CID 14414969
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
ethyl 2-[6-[2-[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]ethoxy]-1H-indol-3-yl]acetate
CID 87935475
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate (CID 168930983) is ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate is [2H]C([2H])([2H])Oc1ccc2c(CC(=O)OCC)c[nH]c2c1.
What is the InChIKey of ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate?
The InChIKey is ZTMZTUTWHBPKRS-BMSJAHLVSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(15)6-9-8-14-12-7-10(16-2)4-5-11(9)12/h4-5,7-8,14H,3,6H2,1-2H3/i2D3.
What are the key properties of ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate?
ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate has a molecular weight of 236.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate is sourced from PubChem (CID 168930983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).