ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate

C14H17N3O3 — CID 13399706

IUPACethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cnn(CC)n2)cc1
InChIInChI=1S/C14H17N3O3/c1-3-17-15-9-13(16-17)11-5-7-12(8-6-11)20-10-14(18)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyFTDFGMIYEUPSNX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.91
Rot. Bonds6

About ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate

ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate (PubChem CID 13399706) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate
PubChem CID13399706
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cnn(CC)n2)cc1
InChIInChI=1S/C14H17N3O3/c1-3-17-15-9-13(16-17)11-5-7-12(8-6-11)20-10-14(18)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyFTDFGMIYEUPSNX-UHFFFAOYSA-N
XLogP1.91
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate (CID 13399706) is ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2cnn(CC)n2)cc1.
What is the InChIKey of ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate?
The InChIKey is FTDFGMIYEUPSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17-15-9-13(16-17)11-5-7-12(8-6-11)20-10-14(18)19-4-2/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate?
ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate has a molecular weight of 275.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate is sourced from PubChem (CID 13399706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).