ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate

C14H17N3O3 — CID 102538472

IUPACethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC)cc1-n1cnnc1
InChIInChI=1S/C14H17N3O3/c1-3-11-5-6-13(20-8-14(18)19-4-2)12(7-11)17-9-15-16-10-17/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyGACCYJKXZRFYAP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.77
Rot. Bonds6

About ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate

ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate (PubChem CID 102538472) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate
PubChem CID102538472
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC)cc1-n1cnnc1
InChIInChI=1S/C14H17N3O3/c1-3-11-5-6-13(20-8-14(18)19-4-2)12(7-11)17-9-15-16-10-17/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyGACCYJKXZRFYAP-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate (CID 102538472) is ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate is CCOC(=O)COc1ccc(CC)cc1-n1cnnc1.
What is the InChIKey of ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate?
The InChIKey is GACCYJKXZRFYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-11-5-6-13(20-8-14(18)19-4-2)12(7-11)17-9-15-16-10-17/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate?
ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate has a molecular weight of 275.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetate is sourced from PubChem (CID 102538472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).