5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole

C20H15FN4O — CID 73052839

IUPAC5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1F
InChIInChI=1S/C20H15FN4O/c1-26-19-13-7-6-12-18(19)25-20(22-23-24-25)16-10-3-2-8-14(16)15-9-4-5-11-17(15)21/h2-13H,1H3
InChIKeyOYYAZERMZXVPLE-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.14
Rot. Bonds4

About 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole

5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole (PubChem CID 73052839) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole
PubChem CID73052839
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1F
InChIInChI=1S/C20H15FN4O/c1-26-19-13-7-6-12-18(19)25-20(22-23-24-25)16-10-3-2-8-14(16)15-9-4-5-11-17(15)21/h2-13H,1H3
InChIKeyOYYAZERMZXVPLE-UHFFFAOYSA-N
XLogP4.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole?
The IUPAC name of 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole (CID 73052839) is 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole?
The canonical SMILES for 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole is COc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1F.
What is the InChIKey of 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole?
The InChIKey is OYYAZERMZXVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-26-19-13-7-6-12-18(19)25-20(22-23-24-25)16-10-3-2-8-14(16)15-9-4-5-11-17(15)21/h2-13H,1H3.
What are the key properties of 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole?
5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole has a molecular weight of 346.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)tetrazole is sourced from PubChem (CID 73052839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).