ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate

C13H15N3O4 — CID 156627002

IUPACethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2n[nH]nc2OC)cc1
InChIInChI=1S/C13H15N3O4/c1-3-19-11(17)8-20-10-6-4-9(5-7-10)12-13(18-2)15-16-14-12/h4-7H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyOUPHOPACXMBNEO-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.42
Rot. Bonds6

About ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate

ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate (PubChem CID 156627002) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate
PubChem CID156627002
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2n[nH]nc2OC)cc1
InChIInChI=1S/C13H15N3O4/c1-3-19-11(17)8-20-10-6-4-9(5-7-10)12-13(18-2)15-16-14-12/h4-7H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyOUPHOPACXMBNEO-UHFFFAOYSA-N
XLogP1.42
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate (CID 156627002) is ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2n[nH]nc2OC)cc1.
What is the InChIKey of ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate?
The InChIKey is OUPHOPACXMBNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-3-19-11(17)8-20-10-6-4-9(5-7-10)12-13(18-2)15-16-14-12/h4-7H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate?
ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate has a molecular weight of 277.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate is sourced from PubChem (CID 156627002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).