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

C20H18N4O — CID 20597903

IUPAC5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole
SMILESc1ccc2cc(COc3ccc(CCc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C20H18N4O/c1-2-4-18-13-16(5-9-17(18)3-1)14-25-19-10-6-15(7-11-19)8-12-20-21-23-24-22-20/h1-7,9-11,13H,8,12,14H2,(H,21,22,23,24)
InChIKeyKSZYWCXCMAGASE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.72
Rot. Bonds6

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

5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole (PubChem CID 20597903) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole
PubChem CID20597903
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole
SMILESc1ccc2cc(COc3ccc(CCc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C20H18N4O/c1-2-4-18-13-16(5-9-17(18)3-1)14-25-19-10-6-15(7-11-19)8-12-20-21-23-24-22-20/h1-7,9-11,13H,8,12,14H2,(H,21,22,23,24)
InChIKeyKSZYWCXCMAGASE-UHFFFAOYSA-N
XLogP3.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole (CID 20597903) is 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole is c1ccc2cc(COc3ccc(CCc4nn[nH]n4)cc3)ccc2c1.
What is the InChIKey of 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole?
The InChIKey is KSZYWCXCMAGASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-4-18-13-16(5-9-17(18)3-1)14-25-19-10-6-15(7-11-19)8-12-20-21-23-24-22-20/h1-7,9-11,13H,8,12,14H2,(H,21,22,23,24).
What are the key properties of 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole?
5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole has a molecular weight of 330.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(naphthalen-2-ylmethoxy)phenyl]ethyl]-2H-tetrazole is sourced from PubChem (CID 20597903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).