2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

C16H17F3N2O3 — CID 155284782

IUPAC2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(OCC(C)(C)O)nn1
InChIInChI=1S/C16H17F3N2O3/c1-9-6-10(16(17,18)19)7-12(22)14(9)11-4-5-13(21-20-11)24-8-15(2,3)23/h4-7,22-23H,8H2,1-3H3
InChIKeyYJRCAQBGNHGUEL-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.33
Rot. Bonds4

About 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (PubChem CID 155284782) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
PubChem CID155284782
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(OCC(C)(C)O)nn1
InChIInChI=1S/C16H17F3N2O3/c1-9-6-10(16(17,18)19)7-12(22)14(9)11-4-5-13(21-20-11)24-8-15(2,3)23/h4-7,22-23H,8H2,1-3H3
InChIKeyYJRCAQBGNHGUEL-UHFFFAOYSA-N
XLogP3.33
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11208399, Example 42
CID 155284612
6-Methyl-3-[3-(trifluoromethyl)phenoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76312965
6-Methyl-3-[(2-methylphenyl)methoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323832
6-Methyl-4-[3-(trifluoromethyl)phenyl]-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridazine
CID 76334653
6-Methyl-3-(3-methylphenoxy)-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76334655
3-(2,6-Dimethylphenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76309250
3-(3,5-Dimethylphenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76309251
3-(2,4-Dimethylphenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76312953
6-Methyl-3-[2-(trifluoromethyl)phenoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76312964
3-[(3-Methoxyphenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323833
6-Methyl-3-(2-methylphenoxy)-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323836
3-[(2-Methoxyphenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76327390

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (CID 155284782) is 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(OCC(C)(C)O)nn1.
What is the InChIKey of 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The InChIKey is YJRCAQBGNHGUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-9-6-10(16(17,18)19)7-12(22)14(9)11-4-5-13(21-20-11)24-8-15(2,3)23/h4-7,22-23H,8H2,1-3H3.
What are the key properties of 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol has a molecular weight of 342.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxy-2-methylpropoxy)pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).