(4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

C18H17N3O2 — CID 71681512

IUPAC(4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCC(C)c1ccc(-n2cc(C(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)13-3-7-15(8-4-13)21-11-17(19-20-21)18(23)14-5-9-16(22)10-6-14/h3-12,22H,1-2H3
InChIKeyZQOZXWHQQNNEJY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.33
Rot. Bonds4

About (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

(4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (PubChem CID 71681512) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
PubChem CID71681512
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCC(C)c1ccc(-n2cc(C(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)13-3-7-15(8-4-13)21-11-17(19-20-21)18(23)14-5-9-16(22)10-6-14/h3-12,22H,1-2H3
InChIKeyZQOZXWHQQNNEJY-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone 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-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (CID 71681512) is (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is CC(C)c1ccc(-n2cc(C(=O)c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The InChIKey is ZQOZXWHQQNNEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)13-3-7-15(8-4-13)21-11-17(19-20-21)18(23)14-5-9-16(22)10-6-14/h3-12,22H,1-2H3.
What are the key properties of (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
(4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone has a molecular weight of 307.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 71681512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).