5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole

C22H20N4O — CID 18973861

IUPAC5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole
SMILESc1ccc(COc2ccccc2CCc2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C22H20N4O/c1-2-6-18(7-3-1)16-27-21-9-5-4-8-19(21)13-10-17-11-14-20(15-12-17)22-23-25-26-24-22/h1-9,11-12,14-15H,10,13,16H2,(H,23,24,25,26)
InChIKeyAFPZXDAGMGXYCI-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.23
Rot. Bonds7

About 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole

5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole (PubChem CID 18973861) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole
PubChem CID18973861
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole
SMILESc1ccc(COc2ccccc2CCc2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C22H20N4O/c1-2-6-18(7-3-1)16-27-21-9-5-4-8-19(21)13-10-17-11-14-20(15-12-17)22-23-25-26-24-22/h1-9,11-12,14-15H,10,13,16H2,(H,23,24,25,26)
InChIKeyAFPZXDAGMGXYCI-UHFFFAOYSA-N
XLogP4.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole (CID 18973861) is 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole is c1ccc(COc2ccccc2CCc2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole?
The InChIKey is AFPZXDAGMGXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-6-18(7-3-1)16-27-21-9-5-4-8-19(21)13-10-17-11-14-20(15-12-17)22-23-25-26-24-22/h1-9,11-12,14-15H,10,13,16H2,(H,23,24,25,26).
What are the key properties of 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole?
5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole has a molecular weight of 356.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-phenylmethoxyphenyl)ethyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 18973861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).