5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole

C22H18N4O — CID 57293857

IUPAC5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole
SMILESC(=Cc1nn[nH]n1)c1cccc(COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H18N4O/c1-2-9-19(10-3-1)20-11-4-5-12-21(20)27-16-18-8-6-7-17(15-18)13-14-22-23-25-26-24-22/h1-15H,16H2,(H,23,24,25,26)
InChIKeyXYYRZPIRTOSKHG-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.62
Rot. Bonds6

About 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole

5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole (PubChem CID 57293857) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole
PubChem CID57293857
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole
SMILESC(=Cc1nn[nH]n1)c1cccc(COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H18N4O/c1-2-9-19(10-3-1)20-11-4-5-12-21(20)27-16-18-8-6-7-17(15-18)13-14-22-23-25-26-24-22/h1-15H,16H2,(H,23,24,25,26)
InChIKeyXYYRZPIRTOSKHG-UHFFFAOYSA-N
XLogP4.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole (CID 57293857) is 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole is C(=Cc1nn[nH]n1)c1cccc(COc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole?
The InChIKey is XYYRZPIRTOSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-2-9-19(10-3-1)20-11-4-5-12-21(20)27-16-18-8-6-7-17(15-18)13-14-22-23-25-26-24-22/h1-15H,16H2,(H,23,24,25,26).
What are the key properties of 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole?
5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole has a molecular weight of 354.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[(2-phenylphenoxy)methyl]phenyl]ethenyl]-2H-tetrazole is sourced from PubChem (CID 57293857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).