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

C9H10N4O — CID 82075517

IUPAC5-[(2-methylphenoxy)methyl]-2H-tetrazole
SMILESCc1ccccc1OCc1nn[nH]n1
InChIInChI=1S/C9H10N4O/c1-7-4-2-3-5-8(7)14-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyOOKUUKJGTSMTNZ-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.09
Rot. Bonds3

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

5-[(2-methylphenoxy)methyl]-2H-tetrazole (PubChem CID 82075517) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-2H-tetrazole
PubChem CID82075517
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-[(2-methylphenoxy)methyl]-2H-tetrazole
SMILESCc1ccccc1OCc1nn[nH]n1
InChIInChI=1S/C9H10N4O/c1-7-4-2-3-5-8(7)14-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyOOKUUKJGTSMTNZ-UHFFFAOYSA-N
XLogP1.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
2,3-bis(2H-tetrazol-5-ylmethoxy)aniline
CID 88996024
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912
5-[(3,5-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076911
2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine
CID 82478497
sodium 2-(2-methylphenoxy)acetate
CID 23664336
5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole
CID 918344
ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole
CID 142360325
2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
CID 141220011
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-2H-tetrazole (CID 82075517) is 5-[(2-methylphenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-2H-tetrazole is Cc1ccccc1OCc1nn[nH]n1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-2H-tetrazole?
The InChIKey is OOKUUKJGTSMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-4-2-3-5-8(7)14-6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13).
What are the key properties of 5-[(2-methylphenoxy)methyl]-2H-tetrazole?
5-[(2-methylphenoxy)methyl]-2H-tetrazole has a molecular weight of 190.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 82075517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).