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

C18H14N4O — CID 57457051

IUPAC5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole
SMILESc1cc(COc2ccc3ccccc3c2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H14N4O/c1-2-6-15-11-17(9-8-14(15)5-1)23-12-13-4-3-7-16(10-13)18-19-21-22-20-18/h1-11H,12H2,(H,19,20,21,22)
InChIKeyRTERRDCCXVAZFJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.60
Rot. Bonds4

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

5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole (PubChem CID 57457051) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole
PubChem CID57457051
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole
SMILESc1cc(COc2ccc3ccccc3c2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H14N4O/c1-2-6-15-11-17(9-8-14(15)5-1)23-12-13-4-3-7-16(10-13)18-19-21-22-20-18/h1-11H,12H2,(H,19,20,21,22)
InChIKeyRTERRDCCXVAZFJ-UHFFFAOYSA-N
XLogP3.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole (CID 57457051) is 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole is c1cc(COc2ccc3ccccc3c2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole?
The InChIKey is RTERRDCCXVAZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-2-6-15-11-17(9-8-14(15)5-1)23-12-13-4-3-7-16(10-13)18-19-21-22-20-18/h1-11H,12H2,(H,19,20,21,22).
What are the key properties of 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole?
5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole has a molecular weight of 302.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(naphthalen-2-yloxymethyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 57457051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).