5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole

C20H16N4O — CID 57231597

IUPAC5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole
SMILESC(=Cc1nn[nH]n1)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H16N4O/c1-2-6-18-12-16(8-10-17(18)5-1)14-25-19-7-3-4-15(13-19)9-11-20-21-23-24-22-20/h1-13H,14H2,(H,21,22,23,24)
InChIKeyIUDRFGXGVUOIMV-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.10
Rot. Bonds5

About 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole

5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole (PubChem CID 57231597) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole
PubChem CID57231597
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole
SMILESC(=Cc1nn[nH]n1)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H16N4O/c1-2-6-18-12-16(8-10-17(18)5-1)14-25-19-7-3-4-15(13-19)9-11-20-21-23-24-22-20/h1-13H,14H2,(H,21,22,23,24)
InChIKeyIUDRFGXGVUOIMV-UHFFFAOYSA-N
XLogP4.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole (CID 57231597) is 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole is C(=Cc1nn[nH]n1)c1cccc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole?
The InChIKey is IUDRFGXGVUOIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-6-18-12-16(8-10-17(18)5-1)14-25-19-7-3-4-15(13-19)9-11-20-21-23-24-22-20/h1-13H,14H2,(H,21,22,23,24).
What are the key properties of 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole?
5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole has a molecular weight of 328.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(naphthalen-2-ylmethoxy)phenyl]ethenyl]-2H-tetrazole is sourced from PubChem (CID 57231597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).