4-(4-phenylmethoxyphenyl)-2H-triazole

C15H13N3O — CID 66935336

IUPAC4-(4-phenylmethoxyphenyl)-2H-triazole
SMILESc1ccc(COc2ccc(-c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)11-19-14-8-6-13(7-9-14)15-10-16-18-17-15/h1-10H,11H2,(H,16,17,18)
InChIKeyMIDBRPMGWRRSEB-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.05
Rot. Bonds4

About 4-(4-phenylmethoxyphenyl)-2H-triazole

4-(4-phenylmethoxyphenyl)-2H-triazole (PubChem CID 66935336) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-2H-triazole
PubChem CID66935336
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(4-phenylmethoxyphenyl)-2H-triazole
SMILESc1ccc(COc2ccc(-c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)11-19-14-8-6-13(7-9-14)15-10-16-18-17-15/h1-10H,11H2,(H,16,17,18)
InChIKeyMIDBRPMGWRRSEB-UHFFFAOYSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-2H-triazole?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-2H-triazole (CID 66935336) is 4-(4-phenylmethoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-2H-triazole is c1ccc(COc2ccc(-c3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-2H-triazole?
The InChIKey is MIDBRPMGWRRSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-12(5-3-1)11-19-14-8-6-13(7-9-14)15-10-16-18-17-15/h1-10H,11H2,(H,16,17,18).
What are the key properties of 4-(4-phenylmethoxyphenyl)-2H-triazole?
4-(4-phenylmethoxyphenyl)-2H-triazole has a molecular weight of 251.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-2H-triazole is sourced from PubChem (CID 66935336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).