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

C18H19N3O — CID 71681683

IUPAC2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol
SMILESCC(C)c1ccc(-n2cc(Cc3ccccc3O)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)14-7-9-17(10-8-14)21-12-16(19-20-21)11-15-5-3-4-6-18(15)22/h3-10,12-13,22H,11H2,1-2H3
InChIKeySXPUIVHUWRMLPP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds4

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

2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol (PubChem CID 71681683) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol
PubChem CID71681683
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol
SMILESCC(C)c1ccc(-n2cc(Cc3ccccc3O)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)14-7-9-17(10-8-14)21-12-16(19-20-21)11-15-5-3-4-6-18(15)22/h3-10,12-13,22H,11H2,1-2H3
InChIKeySXPUIVHUWRMLPP-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol?
The IUPAC name of 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol (CID 71681683) is 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol.
What is the SMILES notation for 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol?
The canonical SMILES for 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol is CC(C)c1ccc(-n2cc(Cc3ccccc3O)nn2)cc1.
What is the InChIKey of 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol?
The InChIKey is SXPUIVHUWRMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)14-7-9-17(10-8-14)21-12-16(19-20-21)11-15-5-3-4-6-18(15)22/h3-10,12-13,22H,11H2,1-2H3.
What are the key properties of 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol?
2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol has a molecular weight of 293.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]phenol is sourced from PubChem (CID 71681683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).