2-(4-benzyltriazol-1-yl)-4-chlorophenol

C15H12ClN3O — CID 11818496

IUPAC2-(4-benzyltriazol-1-yl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1-n1cc(Cc2ccccc2)nn1
InChIInChI=1S/C15H12ClN3O/c16-12-6-7-15(20)14(9-12)19-10-13(17-18-19)8-11-4-2-1-3-5-11/h1-7,9-10,20H,8H2
InChIKeyUVAQADWLEPRBOF-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-benzyltriazol-1-yl)-4-chlorophenol

2-(4-benzyltriazol-1-yl)-4-chlorophenol (PubChem CID 11818496) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-benzyltriazol-1-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(4-benzyltriazol-1-yl)-4-chlorophenol
PubChem CID11818496
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-(4-benzyltriazol-1-yl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1-n1cc(Cc2ccccc2)nn1
InChIInChI=1S/C15H12ClN3O/c16-12-6-7-15(20)14(9-12)19-10-13(17-18-19)8-11-4-2-1-3-5-11/h1-7,9-10,20H,8H2
InChIKeyUVAQADWLEPRBOF-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyltriazol-1-yl)-4-chlorophenol?
The IUPAC name of 2-(4-benzyltriazol-1-yl)-4-chlorophenol (CID 11818496) is 2-(4-benzyltriazol-1-yl)-4-chlorophenol.
What is the SMILES notation for 2-(4-benzyltriazol-1-yl)-4-chlorophenol?
The canonical SMILES for 2-(4-benzyltriazol-1-yl)-4-chlorophenol is Oc1ccc(Cl)cc1-n1cc(Cc2ccccc2)nn1.
What is the InChIKey of 2-(4-benzyltriazol-1-yl)-4-chlorophenol?
The InChIKey is UVAQADWLEPRBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-6-7-15(20)14(9-12)19-10-13(17-18-19)8-11-4-2-1-3-5-11/h1-7,9-10,20H,8H2.
What are the key properties of 2-(4-benzyltriazol-1-yl)-4-chlorophenol?
2-(4-benzyltriazol-1-yl)-4-chlorophenol has a molecular weight of 285.73 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyltriazol-1-yl)-4-chlorophenol is sourced from PubChem (CID 11818496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).