5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole

C14H12N4O — CID 50936887

IUPAC5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole
SMILESCOc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C14H12N4O/c1-19-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
InChIKeyLYNDBUPSFWRMGW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.54
Rot. Bonds3

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

5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole (PubChem CID 50936887) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole
PubChem CID50936887
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole
SMILESCOc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C14H12N4O/c1-19-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
InChIKeyLYNDBUPSFWRMGW-UHFFFAOYSA-N
XLogP2.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole (CID 50936887) is 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole is COc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole?
The InChIKey is LYNDBUPSFWRMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18).
What are the key properties of 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole?
5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole has a molecular weight of 252.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 50936887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).