5-(3-phenylmethoxyphenyl)-2H-tetrazole

C14H12N4O — CID 7010322

IUPAC5-(3-phenylmethoxyphenyl)-2H-tetrazole
SMILESc1ccc(COc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C14H12N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2,(H,15,16,17,18)
InChIKeyVWWINOIXMBLCEM-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.45
Rot. Bonds4

About 5-(3-phenylmethoxyphenyl)-2H-tetrazole

5-(3-phenylmethoxyphenyl)-2H-tetrazole (PubChem CID 7010322) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(3-phenylmethoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-phenylmethoxyphenyl)-2H-tetrazole
PubChem CID7010322
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(3-phenylmethoxyphenyl)-2H-tetrazole
SMILESc1ccc(COc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C14H12N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2,(H,15,16,17,18)
InChIKeyVWWINOIXMBLCEM-UHFFFAOYSA-N
XLogP2.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-phenylmethoxyphenyl)-2H-tetrazole (CID 7010322) is 5-(3-phenylmethoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-phenylmethoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-phenylmethoxyphenyl)-2H-tetrazole is c1ccc(COc2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 5-(3-phenylmethoxyphenyl)-2H-tetrazole?
The InChIKey is VWWINOIXMBLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2,(H,15,16,17,18).
What are the key properties of 5-(3-phenylmethoxyphenyl)-2H-tetrazole?
5-(3-phenylmethoxyphenyl)-2H-tetrazole has a molecular weight of 252.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 7010322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).