ethyl 2-indol-1-yloxyacetate

C12H13NO3 — CID 19786741

IUPACethyl 2-indol-1-yloxyacetate
SMILESCCOC(=O)COn1ccc2ccccc21
InChIInChI=1S/C12H13NO3/c1-2-15-12(14)9-16-13-8-7-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3
InChIKeyZPARXIUGKNNAKI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-indol-1-yloxyacetate

ethyl 2-indol-1-yloxyacetate (PubChem CID 19786741) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-indol-1-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-indol-1-yloxyacetate
PubChem CID19786741
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 2-indol-1-yloxyacetate
SMILESCCOC(=O)COn1ccc2ccccc21
InChIInChI=1S/C12H13NO3/c1-2-15-12(14)9-16-13-8-7-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3
InChIKeyZPARXIUGKNNAKI-UHFFFAOYSA-N
XLogP1.63
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
1-(4-chlorophenyl)-2-indol-1-yloxyethanone
CID 70134400
butyl indol-1-yl carbonate
CID 67701904
diindol-1-yl carbonate
CID 154640293
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
O-indol-1-ylhydroxylamine
CID 57016853
indol-1-yl 2-bromo-2-methylpropanoate
CID 175398791
ethyl 2-imidazo[1,5-a]pyridin-1-ylacetate
CID 71222577
ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
CID 86157030
1-(4-bromobutoxy)indole
CID 175976502
ethyl 2-[10-(2-ethoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 4065674
ethyl 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)acetate
CID 3560881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-indol-1-yloxyacetate?
The IUPAC name of ethyl 2-indol-1-yloxyacetate (CID 19786741) is ethyl 2-indol-1-yloxyacetate.
What is the SMILES notation for ethyl 2-indol-1-yloxyacetate?
The canonical SMILES for ethyl 2-indol-1-yloxyacetate is CCOC(=O)COn1ccc2ccccc21.
What is the InChIKey of ethyl 2-indol-1-yloxyacetate?
The InChIKey is ZPARXIUGKNNAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-15-12(14)9-16-13-8-7-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-indol-1-yloxyacetate?
ethyl 2-indol-1-yloxyacetate has a molecular weight of 219.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-indol-1-yloxyacetate is sourced from PubChem (CID 19786741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).