4-(3-benzyl-5-phenyltriazol-4-yl)phenol

C21H17N3O — CID 162663843

IUPAC4-(3-benzyl-5-phenyltriazol-4-yl)phenol
SMILESOc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c25-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22-23-24(21)15-16-7-3-1-4-8-16/h1-14,25H,15H2
InChIKeyUVPTYUQQKZHVJM-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.37
Rot. Bonds4

About 4-(3-benzyl-5-phenyltriazol-4-yl)phenol

4-(3-benzyl-5-phenyltriazol-4-yl)phenol (PubChem CID 162663843) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(3-benzyl-5-phenyltriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(3-benzyl-5-phenyltriazol-4-yl)phenol
PubChem CID162663843
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-(3-benzyl-5-phenyltriazol-4-yl)phenol
SMILESOc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c25-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22-23-24(21)15-16-7-3-1-4-8-16/h1-14,25H,15H2
InChIKeyUVPTYUQQKZHVJM-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-5-phenyltriazol-4-yl)phenol?
The IUPAC name of 4-(3-benzyl-5-phenyltriazol-4-yl)phenol (CID 162663843) is 4-(3-benzyl-5-phenyltriazol-4-yl)phenol.
What is the SMILES notation for 4-(3-benzyl-5-phenyltriazol-4-yl)phenol?
The canonical SMILES for 4-(3-benzyl-5-phenyltriazol-4-yl)phenol is Oc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-5-phenyltriazol-4-yl)phenol?
The InChIKey is UVPTYUQQKZHVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22-23-24(21)15-16-7-3-1-4-8-16/h1-14,25H,15H2.
What are the key properties of 4-(3-benzyl-5-phenyltriazol-4-yl)phenol?
4-(3-benzyl-5-phenyltriazol-4-yl)phenol has a molecular weight of 327.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-5-phenyltriazol-4-yl)phenol is sourced from PubChem (CID 162663843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).