5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole

C22H20N4O — CID 22340165

IUPAC5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole
SMILESCc1c(COCc2cccc(-c3nn[nH]n3)c2)cccc1-c1ccccc1
InChIInChI=1S/C22H20N4O/c1-16-20(11-6-12-21(16)18-8-3-2-4-9-18)15-27-14-17-7-5-10-19(13-17)22-23-25-26-24-22/h2-13H,14-15H2,1H3,(H,23,24,25,26)
InChIKeyXGWJQLAFLHUTOY-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.56
Rot. Bonds6

About 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole

5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole (PubChem CID 22340165) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole
PubChem CID22340165
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole
SMILESCc1c(COCc2cccc(-c3nn[nH]n3)c2)cccc1-c1ccccc1
InChIInChI=1S/C22H20N4O/c1-16-20(11-6-12-21(16)18-8-3-2-4-9-18)15-27-14-17-7-5-10-19(13-17)22-23-25-26-24-22/h2-13H,14-15H2,1H3,(H,23,24,25,26)
InChIKeyXGWJQLAFLHUTOY-UHFFFAOYSA-N
XLogP4.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole (CID 22340165) is 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole is Cc1c(COCc2cccc(-c3nn[nH]n3)c2)cccc1-c1ccccc1.
What is the InChIKey of 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole?
The InChIKey is XGWJQLAFLHUTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-20(11-6-12-21(16)18-8-3-2-4-9-18)15-27-14-17-7-5-10-19(13-17)22-23-25-26-24-22/h2-13H,14-15H2,1H3,(H,23,24,25,26).
What are the key properties of 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole?
5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole has a molecular weight of 356.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methyl-3-phenylphenyl)methoxymethyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 22340165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).