5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole

C14H11BrN4O — CID 28602481

IUPAC5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C14H11BrN4O/c1-10-7-8-13(12(15)9-10)20-14-16-17-18-19(14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyWHUFNVXJVBCKCW-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.53
Rot. Bonds3

About 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole

5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole (PubChem CID 28602481) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole
PubChem CID28602481
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C14H11BrN4O/c1-10-7-8-13(12(15)9-10)20-14-16-17-18-19(14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyWHUFNVXJVBCKCW-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-(2,5-Dimethylphenoxy)-1-phenyltetrazole
CID 2099429
5-(4-Bromophenoxy)-1-phenyltetrazole
CID 575909
1-Phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole
CID 4880060
1H-Tetrazole, 5-phenoxy-1-(3-(trifluoromethyl)phenyl)-
CID 115214
1-[4-[(4-Bromophenyl)methoxy]phenyl]tetrazole
CID 2637359
5-Phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 86133980
1-[3-(Fluoromethyl)phenyl]-5-phenoxytetrazole
CID 152018629
5-[(4-Methoxyphenyl)methoxy]-1-phenyltetrazole
CID 85985475
5-(2-Bromo-4-fluorophenoxy)-1-phenyltetrazole
CID 24693709
1-[4-[(5-Bromo-2-fluorophenyl)methoxy]phenyl]tetrazole
CID 52618321
1-[4-[(3-Bromo-4-fluorophenyl)methoxy]phenyl]tetrazole
CID 52618322
5-[(5-Bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)tetrazole
CID 60593562

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole (CID 28602481) is 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole is Cc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole?
The InChIKey is WHUFNVXJVBCKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-10-7-8-13(12(15)9-10)20-14-16-17-18-19(14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5-(2-bromo-4-methylphenoxy)-1-phenyltetrazole?
5-(2-bromo-4-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-(2-bromo-4-methylphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 28602481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).