1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole

C14H11BrN4O — CID 2637359

IUPAC1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole
SMILESBrc1ccc(COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C14H11BrN4O/c15-12-3-1-11(2-4-12)9-20-14-7-5-13(6-8-14)19-10-16-17-18-19/h1-8,10H,9H2
InChIKeyDEHRBHAWLVNNET-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.00
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole

1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole (PubChem CID 2637359) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole
PubChem CID2637359
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole
SMILESBrc1ccc(COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C14H11BrN4O/c15-12-3-1-11(2-4-12)9-20-14-7-5-13(6-8-14)19-10-16-17-18-19/h1-8,10H,9H2
InChIKeyDEHRBHAWLVNNET-UHFFFAOYSA-N
XLogP3.00
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole (CID 2637359) is 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole is Brc1ccc(COc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole?
The InChIKey is DEHRBHAWLVNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-12-3-1-11(2-4-12)9-20-14-7-5-13(6-8-14)19-10-16-17-18-19/h1-8,10H,9H2.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole?
1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole has a molecular weight of 331.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 2637359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).