2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate

C18H19N3O4 — CID 7805787

IUPAC2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate
SMILESCCn1nnc2cc(C(=O)OCCOc3ccc(OC)cc3)ccc21
InChIInChI=1S/C18H19N3O4/c1-3-21-17-9-4-13(12-16(17)19-20-21)18(22)25-11-10-24-15-7-5-14(23-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3
InChIKeyCCYQXEFFUUIYER-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.70
Rot. Bonds7

About 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate

2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate (PubChem CID 7805787) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate
PubChem CID7805787
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate
SMILESCCn1nnc2cc(C(=O)OCCOc3ccc(OC)cc3)ccc21
InChIInChI=1S/C18H19N3O4/c1-3-21-17-9-4-13(12-16(17)19-20-21)18(22)25-11-10-24-15-7-5-14(23-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3
InChIKeyCCYQXEFFUUIYER-UHFFFAOYSA-N
XLogP2.70
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806112
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
cyanomethyl 1-ethylbenzotriazole-5-carboxylate
CID 7806064
ethyl 1-ethyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazole-5-carboxylate
CID 7845699
(4-ethylphenyl) 1-ethylbenzotriazole-5-carboxylate
CID 18082407
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylbenzotriazole-5-carboxylate
CID 7805802
(3,4-dichlorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate
CID 7806069
ethyl 1-(2-aminoethyl)benzotriazole-5-carboxylate
CID 91811951
[2-(benzylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806129
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806140

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate (CID 7805787) is 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate is CCn1nnc2cc(C(=O)OCCOc3ccc(OC)cc3)ccc21.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate?
The InChIKey is CCYQXEFFUUIYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-21-17-9-4-13(12-16(17)19-20-21)18(22)25-11-10-24-15-7-5-14(23-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate?
2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate is sourced from PubChem (CID 7805787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).