ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate

C12H15NO3 — CID 39733625

IUPACethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
SMILESCCOC(=O)COc1cccc2c1CCN2
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)8-16-11-5-3-4-10-9(11)6-7-13-10/h3-5,13H,2,6-8H2,1H3
InChIKeyBGXHIDHBBYHEBX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate

ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate (PubChem CID 39733625) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
PubChem CID39733625
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
SMILESCCOC(=O)COc1cccc2c1CCN2
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)8-16-11-5-3-4-10-9(11)6-7-13-10/h3-5,13H,2,6-8H2,1H3
InChIKeyBGXHIDHBBYHEBX-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate (CID 39733625) is ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate is CCOC(=O)COc1cccc2c1CCN2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate?
The InChIKey is BGXHIDHBBYHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-12(14)8-16-11-5-3-4-10-9(11)6-7-13-10/h3-5,13H,2,6-8H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate?
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate has a molecular weight of 221.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate is sourced from PubChem (CID 39733625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).