1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole

C21H17N3O — CID 175322203

IUPAC1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
SMILESCOc1cc(-n2cc(-c3ccccc3)nn2)ccc1-c1ccccc1
InChIInChI=1S/C21H17N3O/c1-25-21-14-18(12-13-19(21)16-8-4-2-5-9-16)24-15-20(22-23-24)17-10-6-3-7-11-17/h2-15H,1H3
InChIKeyHVWZVYIMXKTRJJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole

1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole (PubChem CID 175322203) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
PubChem CID175322203
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
SMILESCOc1cc(-n2cc(-c3ccccc3)nn2)ccc1-c1ccccc1
InChIInChI=1S/C21H17N3O/c1-25-21-14-18(12-13-19(21)16-8-4-2-5-9-16)24-15-20(22-23-24)17-10-6-3-7-11-17/h2-15H,1H3
InChIKeyHVWZVYIMXKTRJJ-UHFFFAOYSA-N
XLogP4.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole?
The IUPAC name of 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole (CID 175322203) is 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole?
The canonical SMILES for 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole is COc1cc(-n2cc(-c3ccccc3)nn2)ccc1-c1ccccc1.
What is the InChIKey of 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole?
The InChIKey is HVWZVYIMXKTRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-21-14-18(12-13-19(21)16-8-4-2-5-9-16)24-15-20(22-23-24)17-10-6-3-7-11-17/h2-15H,1H3.
What are the key properties of 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole?
1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole has a molecular weight of 327.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole is sourced from PubChem (CID 175322203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).