3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol

C18H19N3O — CID 122179796

IUPAC3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
SMILESCC(C)c1ccc(Cn2cc(-c3cccc(O)c3)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)15-8-6-14(7-9-15)11-21-12-18(19-20-21)16-4-3-5-17(22)10-16/h3-10,12-13,22H,11H2,1-2H3
InChIKeyRQHULHXUTMBQAG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds4

About 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol

3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol (PubChem CID 122179796) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
PubChem CID122179796
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
SMILESCC(C)c1ccc(Cn2cc(-c3cccc(O)c3)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)15-8-6-14(7-9-15)11-21-12-18(19-20-21)16-4-3-5-17(22)10-16/h3-10,12-13,22H,11H2,1-2H3
InChIKeyRQHULHXUTMBQAG-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
The IUPAC name of 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol (CID 122179796) is 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol is CC(C)c1ccc(Cn2cc(-c3cccc(O)c3)nn2)cc1.
What is the InChIKey of 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
The InChIKey is RQHULHXUTMBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)15-8-6-14(7-9-15)11-21-12-18(19-20-21)16-4-3-5-17(22)10-16/h3-10,12-13,22H,11H2,1-2H3.
What are the key properties of 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol has a molecular weight of 293.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 122179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).