4-(4-benzyltriazol-1-yl)phenol

C15H13N3O — CID 52947733

IUPAC4-(4-benzyltriazol-1-yl)phenol
SMILESOc1ccc(-n2cc(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c19-15-8-6-14(7-9-15)18-11-13(16-17-18)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2
InChIKeyZSQDQVRTOOCIEW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds3

About 4-(4-benzyltriazol-1-yl)phenol

4-(4-benzyltriazol-1-yl)phenol (PubChem CID 52947733) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-benzyltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-benzyltriazol-1-yl)phenol
PubChem CID52947733
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(4-benzyltriazol-1-yl)phenol
SMILESOc1ccc(-n2cc(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c19-15-8-6-14(7-9-15)18-11-13(16-17-18)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2
InChIKeyZSQDQVRTOOCIEW-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyltriazol-1-yl)phenol?
The IUPAC name of 4-(4-benzyltriazol-1-yl)phenol (CID 52947733) is 4-(4-benzyltriazol-1-yl)phenol.
What is the SMILES notation for 4-(4-benzyltriazol-1-yl)phenol?
The canonical SMILES for 4-(4-benzyltriazol-1-yl)phenol is Oc1ccc(-n2cc(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 4-(4-benzyltriazol-1-yl)phenol?
The InChIKey is ZSQDQVRTOOCIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-8-6-14(7-9-15)18-11-13(16-17-18)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2.
What are the key properties of 4-(4-benzyltriazol-1-yl)phenol?
4-(4-benzyltriazol-1-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyltriazol-1-yl)phenol is sourced from PubChem (CID 52947733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).