4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol

C16H15N3O — CID 52948301

IUPAC4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol
SMILESCc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1
InChIInChI=1S/C16H15N3O/c1-12-3-2-4-13(9-12)10-19-11-16(17-18-19)14-5-7-15(20)8-6-14/h2-9,11,20H,10H2,1H3
InChIKeyDBJXPPIVYNNBAR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.01
Rot. Bonds3

About 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol

4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol (PubChem CID 52948301) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol
PubChem CID52948301
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol
SMILESCc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1
InChIInChI=1S/C16H15N3O/c1-12-3-2-4-13(9-12)10-19-11-16(17-18-19)14-5-7-15(20)8-6-14/h2-9,11,20H,10H2,1H3
InChIKeyDBJXPPIVYNNBAR-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]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 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol?
The IUPAC name of 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol (CID 52948301) is 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol is Cc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1.
What is the InChIKey of 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol?
The InChIKey is DBJXPPIVYNNBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-3-2-4-13(9-12)10-19-11-16(17-18-19)14-5-7-15(20)8-6-14/h2-9,11,20H,10H2,1H3.
What are the key properties of 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol?
4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylphenyl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 52948301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).