5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole

C15H13BrN4O — CID 107724421

IUPAC5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
SMILESCc1cc(Oc2nnnn2-c2ccccc2)cc(C)c1Br
InChIInChI=1S/C15H13BrN4O/c1-10-8-13(9-11(2)14(10)16)21-15-17-18-19-20(15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyJDWORONXXLJZGQ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.83
Rot. Bonds3

About 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole

5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole (PubChem CID 107724421) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
PubChem CID107724421
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
SMILESCc1cc(Oc2nnnn2-c2ccccc2)cc(C)c1Br
InChIInChI=1S/C15H13BrN4O/c1-10-8-13(9-11(2)14(10)16)21-15-17-18-19-20(15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyJDWORONXXLJZGQ-UHFFFAOYSA-N
XLogP3.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107284493
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
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5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
CID 8565211
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(3-nitrophenoxy)-1-phenyltetrazole
CID 2833287
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
2-(1-phenyltetrazol-5-yl)oxyaniline
CID 1079791
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate
CID 22296984
(E)-1-(4-bromophenyl)-3-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]prop-2-en-1-one
CID 155523727
dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452
2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole
CID 2526141

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole (CID 107724421) is 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole is Cc1cc(Oc2nnnn2-c2ccccc2)cc(C)c1Br.
What is the InChIKey of 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole?
The InChIKey is JDWORONXXLJZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-10-8-13(9-11(2)14(10)16)21-15-17-18-19-20(15)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole?
5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole has a molecular weight of 345.20 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 107724421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).