4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol

C16H15N3O — CID 52944087

IUPAC4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol
SMILESCc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1
InChIInChI=1S/C16H15N3O/c1-12-4-2-3-5-14(12)10-19-11-16(17-18-19)13-6-8-15(20)9-7-13/h2-9,11,20H,10H2,1H3
InChIKeyZTDBUYLNNPFRAX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.01
Rot. Bonds3

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

4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol (PubChem CID 52944087) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol
PubChem CID52944087
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol
SMILESCc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1
InChIInChI=1S/C16H15N3O/c1-12-4-2-3-5-14(12)10-19-11-16(17-18-19)13-6-8-15(20)9-7-13/h2-9,11,20H,10H2,1H3
InChIKeyZTDBUYLNNPFRAX-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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol?
The IUPAC name of 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol (CID 52944087) is 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol is Cc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1.
What is the InChIKey of 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol?
The InChIKey is ZTDBUYLNNPFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-4-2-3-5-14(12)10-19-11-16(17-18-19)13-6-8-15(20)9-7-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 4-[1-[(2-methylphenyl)methyl]triazol-4-yl]phenol?
4-[1-[(2-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-[(2-methylphenyl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 52944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).