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

C18H19N3O — CID 122179795

IUPAC2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
SMILESCC(C)c1ccc(Cn2cc(-c3ccccc3O)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)15-9-7-14(8-10-15)11-21-12-17(19-20-21)16-5-3-4-6-18(16)22/h3-10,12-13,22H,11H2,1-2H3
InChIKeyLVWMPLSOMVDCRM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds4

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

2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol (PubChem CID 122179795) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
PubChem CID122179795
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
SMILESCC(C)c1ccc(Cn2cc(-c3ccccc3O)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)15-9-7-14(8-10-15)11-21-12-17(19-20-21)16-5-3-4-6-18(16)22/h3-10,12-13,22H,11H2,1-2H3
InChIKeyLVWMPLSOMVDCRM-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 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
The IUPAC name of 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol (CID 122179795) is 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol is CC(C)c1ccc(Cn2cc(-c3ccccc3O)nn2)cc1.
What is the InChIKey of 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
The InChIKey is LVWMPLSOMVDCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)15-9-7-14(8-10-15)11-21-12-17(19-20-21)16-5-3-4-6-18(16)22/h3-10,12-13,22H,11H2,1-2H3.
What are the key properties of 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol?
2-[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 2-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 122179795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).