5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole

C11H14N4O — CID 107055235

IUPAC5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
SMILESCc1cc(C)cc(OCc2nnn(C)n2)c1
InChIInChI=1S/C11H14N4O/c1-8-4-9(2)6-10(5-8)16-7-11-12-14-15(3)13-11/h4-6H,7H2,1-3H3
InChIKeyFLPFOXNPTNIDMM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.41
Rot. Bonds3

About 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole

5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole (PubChem CID 107055235) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
PubChem CID107055235
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
SMILESCc1cc(C)cc(OCc2nnn(C)n2)c1
InChIInChI=1S/C11H14N4O/c1-8-4-9(2)6-10(5-8)16-7-11-12-14-15(3)13-11/h4-6H,7H2,1-3H3
InChIKeyFLPFOXNPTNIDMM-UHFFFAOYSA-N
XLogP1.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
5-[(3,5-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076911
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
CID 107044287
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107051957
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole (CID 107055235) is 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole is Cc1cc(C)cc(OCc2nnn(C)n2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole?
The InChIKey is FLPFOXNPTNIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-9(2)6-10(5-8)16-7-11-12-14-15(3)13-11/h4-6H,7H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole?
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole has a molecular weight of 218.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole is sourced from PubChem (CID 107055235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).