2-[(4-benzyltriazol-1-yl)methyl]phenol

C16H15N3O — CID 11437030

IUPAC2-[(4-benzyltriazol-1-yl)methyl]phenol
SMILESOc1ccccc1Cn1cc(Cc2ccccc2)nn1
InChIInChI=1S/C16H15N3O/c20-16-9-5-4-8-14(16)11-19-12-15(17-18-19)10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2
InChIKeyKUWPZGSOUABMGY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds4

About 2-[(4-benzyltriazol-1-yl)methyl]phenol

2-[(4-benzyltriazol-1-yl)methyl]phenol (PubChem CID 11437030) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(4-benzyltriazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-benzyltriazol-1-yl)methyl]phenol
PubChem CID11437030
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[(4-benzyltriazol-1-yl)methyl]phenol
SMILESOc1ccccc1Cn1cc(Cc2ccccc2)nn1
InChIInChI=1S/C16H15N3O/c20-16-9-5-4-8-14(16)11-19-12-15(17-18-19)10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2
InChIKeyKUWPZGSOUABMGY-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(4-benzyltriazol-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyltriazol-1-yl)methyl]phenol?
The IUPAC name of 2-[(4-benzyltriazol-1-yl)methyl]phenol (CID 11437030) is 2-[(4-benzyltriazol-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-benzyltriazol-1-yl)methyl]phenol?
The canonical SMILES for 2-[(4-benzyltriazol-1-yl)methyl]phenol is Oc1ccccc1Cn1cc(Cc2ccccc2)nn1.
What is the InChIKey of 2-[(4-benzyltriazol-1-yl)methyl]phenol?
The InChIKey is KUWPZGSOUABMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-9-5-4-8-14(16)11-19-12-15(17-18-19)10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2.
What are the key properties of 2-[(4-benzyltriazol-1-yl)methyl]phenol?
2-[(4-benzyltriazol-1-yl)methyl]phenol has a molecular weight of 265.32 g/mol, XLogP of 2.62, 4 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)methyl]phenol is sourced from PubChem (CID 11437030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).