5-[(3-methoxyphenoxy)methyl]-2H-tetrazole

C9H10N4O2 — CID 6472170

IUPAC5-[(3-methoxyphenoxy)methyl]-2H-tetrazole
SMILESCOc1cccc(OCc2nn[nH]n2)c1
InChIInChI=1S/C9H10N4O2/c1-14-7-3-2-4-8(5-7)15-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyQGUFXBCIOXWFTB-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.79
Rot. Bonds4

About 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole

5-[(3-methoxyphenoxy)methyl]-2H-tetrazole (PubChem CID 6472170) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-2H-tetrazole
PubChem CID6472170
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-[(3-methoxyphenoxy)methyl]-2H-tetrazole
SMILESCOc1cccc(OCc2nn[nH]n2)c1
InChIInChI=1S/C9H10N4O2/c1-14-7-3-2-4-8(5-7)15-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyQGUFXBCIOXWFTB-UHFFFAOYSA-N
XLogP0.79
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-1H-tetrazole
CID 5306162
5-[(4-methoxyphenoxy)methyl]-2H-tetrazole
CID 5307056
1H-Tetrazole, 5-(2-phenoxyethyl)-
CID 3054062
5-(phenoxymethyl)-2H-1,2,3,4-tetrazole
CID 8005210
5-[(2,4-difluorophenoxy)methyl]-1H-tetrazole
CID 2990635
5-[3-(3-phenylmethoxyphenoxy)propyl]-2H-tetrazole
CID 14650375
1H-Tetrazole, 5-(2-(4-methoxyphenoxy)ethyl)-
CID 3054063
1H-Tetrazole, 5-(2-(2-methoxyphenoxy)ethyl)-
CID 3054066
5-[(1,3-benzodioxol-5-yloxy)methyl]-1H-tetrazole
CID 5300165
5-((2-Fluorophenoxy)methyl)-2H-tetrazole
CID 5299257
1,3,5-Tris(2H-tetrazol-5-ylmethoxy)benzene
CID 139074145
5-[(2,4-Difluorophenoxy)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
CID 7234316

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole (CID 6472170) is 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole is COc1cccc(OCc2nn[nH]n2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole?
The InChIKey is QGUFXBCIOXWFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-14-7-3-2-4-8(5-7)15-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13).
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole?
5-[(3-methoxyphenoxy)methyl]-2H-tetrazole has a molecular weight of 206.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 6472170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).