2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate

C12H14NO4- — CID 18351856

IUPAC2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
SMILESO=C([O-])COc1cccc2c1CCN2CCO
InChIInChI=1S/C12H15NO4/c14-7-6-13-5-4-9-10(13)2-1-3-11(9)17-8-12(15)16/h1-3,14H,4-8H2,(H,15,16)/p-1
InChIKeyRUAOKSSYUWNVDO-UHFFFAOYSA-M
MW236.25 g/mol
LogP-0.83
Rot. Bonds5

About 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate

2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate (PubChem CID 18351856) has the molecular formula C12H14NO4- and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
PubChem CID18351856
Molecular FormulaC12H14NO4-
Molecular Weight236.25 g/mol
Exact Mass236.09
IUPAC Name2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
SMILESO=C([O-])COc1cccc2c1CCN2CCO
InChIInChI=1S/C12H15NO4/c14-7-6-13-5-4-9-10(13)2-1-3-11(9)17-8-12(15)16/h1-3,14H,4-8H2,(H,15,16)/p-1
InChIKeyRUAOKSSYUWNVDO-UHFFFAOYSA-M
XLogP-0.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
The IUPAC name of 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate (CID 18351856) is 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate is O=C([O-])COc1cccc2c1CCN2CCO.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
The InChIKey is RUAOKSSYUWNVDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO4/c14-7-6-13-5-4-9-10(13)2-1-3-11(9)17-8-12(15)16/h1-3,14H,4-8H2,(H,15,16)/p-1.
What are the key properties of 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate has a molecular weight of 236.25 g/mol, XLogP of -0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate is sourced from PubChem (CID 18351856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).