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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Related Compounds

2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
CID 121202435
4-ethoxy-1-ethyl-2,3-dihydroindole
CID 59678208
2-[[1-[4-(N-phenylanilino)butyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid;2-[[1-[3-(N-phenylanilino)propyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid
CID 159286198
2-[[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid
CID 22449032
2-[[1-[2-(1,1-diphenylethylsulfinyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid
CID 22449006
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100555755
1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole
CID 121202419
4-(methoxymethoxy)-1-methyl-2,3-dihydroindole
CID 146317984

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).