5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole

C15H13BrN4O — CID 132593238

IUPAC5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1ccccc1COc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C15H13BrN4O/c1-10-4-2-3-5-12(10)9-21-14-7-6-11(8-13(14)16)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20)
InChIKeyUVJOLSXALPQUIV-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.52
Rot. Bonds4

About 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole

5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593238) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593238
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1ccccc1COc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C15H13BrN4O/c1-10-4-2-3-5-12(10)9-21-14-7-6-11(8-13(14)16)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20)
InChIKeyUVJOLSXALPQUIV-UHFFFAOYSA-N
XLogP3.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593252
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681880
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
CID 163327284
2-bromo-4-(2H-tetrazol-5-yl)phenol
CID 135859940
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole (CID 132593238) is 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole is Cc1ccccc1COc1ccc(-c2nn[nH]n2)cc1Br.
What is the InChIKey of 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is UVJOLSXALPQUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-10-4-2-3-5-12(10)9-21-14-7-6-11(8-13(14)16)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20).
What are the key properties of 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 345.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).