5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole

C10H11BrN4O — CID 107043113

IUPAC5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
SMILESCc1cc(Br)ccc1OCc1nnn(C)n1
InChIInChI=1S/C10H11BrN4O/c1-7-5-8(11)3-4-9(7)16-6-10-12-14-15(2)13-10/h3-5H,6H2,1-2H3
InChIKeyFHYMIZKCNCESKA-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.86
Rot. Bonds3

About 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole

5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole (PubChem CID 107043113) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
PubChem CID107043113
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
SMILESCc1cc(Br)ccc1OCc1nnn(C)n1
InChIInChI=1S/C10H11BrN4O/c1-7-5-8(11)3-4-9(7)16-6-10-12-14-15(2)13-10/h3-5H,6H2,1-2H3
InChIKeyFHYMIZKCNCESKA-UHFFFAOYSA-N
XLogP1.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043156
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
5-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044049
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
N-[[3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041356
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
4-[5-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]but-3-yn-1-ol
CID 107051602
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole (CID 107043113) is 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole is Cc1cc(Br)ccc1OCc1nnn(C)n1.
What is the InChIKey of 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole?
The InChIKey is FHYMIZKCNCESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-7-5-8(11)3-4-9(7)16-6-10-12-14-15(2)13-10/h3-5H,6H2,1-2H3.
What are the key properties of 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole?
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole has a molecular weight of 283.13 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole is sourced from PubChem (CID 107043113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).