5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one

C23H26N2O2 — CID 59400751

IUPAC5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(CC(C)C)nn(CCc2ccccc2)c1=O
InChIInChI=1S/C23H26N2O2/c1-16(2)15-20-22(26)21(19-12-8-7-9-17(19)3)23(27)25(24-20)14-13-18-10-5-4-6-11-18/h4-12,16,26H,13-15H2,1-3H3
InChIKeyMCQDGDQTPLENFX-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.37
Rot. Bonds6

About 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one

5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one (PubChem CID 59400751) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
PubChem CID59400751
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(CC(C)C)nn(CCc2ccccc2)c1=O
InChIInChI=1S/C23H26N2O2/c1-16(2)15-20-22(26)21(19-12-8-7-9-17(19)3)23(27)25(24-20)14-13-18-10-5-4-6-11-18/h4-12,16,26H,13-15H2,1-3H3
InChIKeyMCQDGDQTPLENFX-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one (CID 59400751) is 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(CC(C)C)nn(CCc2ccccc2)c1=O.
What is the InChIKey of 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one?
The InChIKey is MCQDGDQTPLENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(2)15-20-22(26)21(19-12-8-7-9-17(19)3)23(27)25(24-20)14-13-18-10-5-4-6-11-18/h4-12,16,26H,13-15H2,1-3H3.
What are the key properties of 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one?
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one has a molecular weight of 362.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one is sourced from PubChem (CID 59400751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).