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

C9H10N4O2 — CID 5306162

IUPAC5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
SMILESCOc1ccccc1OCc1nn[nH]n1
InChIInChI=1S/C9H10N4O2/c1-14-7-4-2-3-5-8(7)15-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyKOIRWUUMPMMWOT-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.79
Rot. Bonds4

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

5-[(2-methoxyphenoxy)methyl]-2H-tetrazole (PubChem CID 5306162) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
PubChem CID5306162
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
SMILESCOc1ccccc1OCc1nn[nH]n1
InChIInChI=1S/C9H10N4O2/c1-14-7-4-2-3-5-8(7)15-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyKOIRWUUMPMMWOT-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-methylphenoxy)methyl]-2H-tetrazole
CID 82075517
2,3-bis(2H-tetrazol-5-ylmethoxy)aniline
CID 88996024
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
CID 143723114

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole (CID 5306162) is 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole is COc1ccccc1OCc1nn[nH]n1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-2H-tetrazole?
The InChIKey is KOIRWUUMPMMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-14-7-4-2-3-5-8(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-[(2-methoxyphenoxy)methyl]-2H-tetrazole?
5-[(2-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-[(2-methoxyphenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 5306162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).