5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole

C14H11BrN4O — CID 107284493

IUPAC5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(Br)cc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C14H11BrN4O/c1-10-7-8-11(15)9-13(10)20-14-16-17-18-19(14)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyWEEHSURYPOGIKK-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.53
Rot. Bonds3

About 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole

5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole (PubChem CID 107284493) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
PubChem CID107284493
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(Br)cc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C14H11BrN4O/c1-10-7-8-11(15)9-13(10)20-14-16-17-18-19(14)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyWEEHSURYPOGIKK-UHFFFAOYSA-N
XLogP3.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
CID 107724421
5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
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2-(1-phenyltetrazol-5-yl)oxyaniline
CID 1079791
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
(E)-1-(4-bromophenyl)-3-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]prop-2-en-1-one
CID 155523727
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3,4-dimethylaniline
CID 66539046
dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452
5-(2-azidophenoxy)-1-phenyltetrazole
CID 169324997
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
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N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole (CID 107284493) is 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole is Cc1ccc(Br)cc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole?
The InChIKey is WEEHSURYPOGIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-10-7-8-11(15)9-13(10)20-14-16-17-18-19(14)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole?
5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole has a molecular weight of 331.17 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 107284493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).