5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole

C10H12N4O2 — CID 3054063

IUPAC5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole
SMILESCOc1ccc(OCCc2nn[nH]n2)cc1
InChIInChI=1S/C10H12N4O2/c1-15-8-2-4-9(5-3-8)16-7-6-10-11-13-14-12-10/h2-5H,6-7H2,1H3,(H,11,12,13,14)
InChIKeyLAGKTEOOCCTUBB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.83
Rot. Bonds5

About 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole

5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole (PubChem CID 3054063) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole
PubChem CID3054063
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole
SMILESCOc1ccc(OCCc2nn[nH]n2)cc1
InChIInChI=1S/C10H12N4O2/c1-15-8-2-4-9(5-3-8)16-7-6-10-11-13-14-12-10/h2-5H,6-7H2,1H3,(H,11,12,13,14)
InChIKeyLAGKTEOOCCTUBB-UHFFFAOYSA-N
XLogP0.83
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole (CID 3054063) is 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole is COc1ccc(OCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole?
The InChIKey is LAGKTEOOCCTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-15-8-2-4-9(5-3-8)16-7-6-10-11-13-14-12-10/h2-5H,6-7H2,1H3,(H,11,12,13,14).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole?
5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole has a molecular weight of 220.23 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole is sourced from PubChem (CID 3054063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).