1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole

C15H13BrN4O2 — CID 26037467

IUPAC1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole
SMILESCOc1ccc(Br)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H13BrN4O2/c1-21-15-7-2-12(16)8-11(15)9-22-14-5-3-13(4-6-14)20-10-17-18-19-20/h2-8,10H,9H2,1H3
InChIKeyMANYKNVCKQQXTO-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole

1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole (PubChem CID 26037467) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole
PubChem CID26037467
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole
SMILESCOc1ccc(Br)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H13BrN4O2/c1-21-15-7-2-12(16)8-11(15)9-22-14-5-3-13(4-6-14)20-10-17-18-19-20/h2-8,10H,9H2,1H3
InChIKeyMANYKNVCKQQXTO-UHFFFAOYSA-N
XLogP3.01
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole (CID 26037467) is 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole is COc1ccc(Br)cc1COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole?
The InChIKey is MANYKNVCKQQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-21-15-7-2-12(16)8-11(15)9-22-14-5-3-13(4-6-14)20-10-17-18-19-20/h2-8,10H,9H2,1H3.
What are the key properties of 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole?
1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole has a molecular weight of 361.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 26037467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).