5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole

C17H11BrN4O — CID 8565211

IUPAC5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
SMILESBrc1ccc2cc(Oc3nnnn3-c3ccccc3)ccc2c1
InChIInChI=1S/C17H11BrN4O/c18-14-8-6-13-11-16(9-7-12(13)10-14)23-17-19-20-21-22(17)15-4-2-1-3-5-15/h1-11H
InChIKeyPQMCMGJVPULSCK-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.37
Rot. Bonds3

About 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole

5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole (PubChem CID 8565211) has the molecular formula C17H11BrN4O and a molecular weight of 367.21 g/mol. Its IUPAC name is 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole.

Molecular Properties

Compound Name5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
PubChem CID8565211
Molecular FormulaC17H11BrN4O
Molecular Weight367.21 g/mol
Exact Mass366.01
IUPAC Name5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
SMILESBrc1ccc2cc(Oc3nnnn3-c3ccccc3)ccc2c1
InChIInChI=1S/C17H11BrN4O/c18-14-8-6-13-11-16(9-7-12(13)10-14)23-17-19-20-21-22(17)15-4-2-1-3-5-15/h1-11H
InChIKeyPQMCMGJVPULSCK-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
CID 107284493
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
CID 107724421
5-(3-nitrophenoxy)-1-phenyltetrazole
CID 2833287
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
2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole
CID 2526141
2-(1-phenyltetrazol-5-yl)oxyaniline
CID 1079791
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 52991851
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
CID 66539007

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole?
The IUPAC name of 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole (CID 8565211) is 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole.
What is the SMILES notation for 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole?
The canonical SMILES for 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole is Brc1ccc2cc(Oc3nnnn3-c3ccccc3)ccc2c1.
What is the InChIKey of 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole?
The InChIKey is PQMCMGJVPULSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O/c18-14-8-6-13-11-16(9-7-12(13)10-14)23-17-19-20-21-22(17)15-4-2-1-3-5-15/h1-11H.
What are the key properties of 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole?
5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole has a molecular weight of 367.21 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole is sourced from PubChem (CID 8565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).