2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one

C23H23ClN2O — CID 143706175

IUPAC2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1ccc(=O)n(C2CCC(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C23H23ClN2O/c1-16-5-2-3-8-21(16)22-13-14-23(27)26(25-22)20-11-9-17(10-12-20)18-6-4-7-19(24)15-18/h2-8,13-15,17,20H,9-12H2,1H3
InChIKeyOWIPEHGLKNHRNP-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.77
Rot. Bonds3

About 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one

2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one (PubChem CID 143706175) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one
PubChem CID143706175
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1ccc(=O)n(C2CCC(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C23H23ClN2O/c1-16-5-2-3-8-21(16)22-13-14-23(27)26(25-22)20-11-9-17(10-12-20)18-6-4-7-19(24)15-18/h2-8,13-15,17,20H,9-12H2,1H3
InChIKeyOWIPEHGLKNHRNP-UHFFFAOYSA-N
XLogP5.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 143705945
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(4-methylphenyl)pyridazin-3-one
CID 70296028
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
CID 177184137
6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
CID 177184228
2-[4-(3-chlorophenyl)-4-methylcyclohexyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one
CID 71202333
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-phenylpyridazin-3-one;hydrochloride
CID 71184621
1-chloro-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533532
2-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 146079070
1-chloro-3-cyclopropylbenzene;trifluoromethanesulfonic acid
CID 87246766
benzenesulfonic acid;4-(3-chlorophenyl)cyclohexan-1-ol
CID 88840608
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one (CID 143706175) is 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-c1ccc(=O)n(C2CCC(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one?
The InChIKey is OWIPEHGLKNHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-16-5-2-3-8-21(16)22-13-14-23(27)26(25-22)20-11-9-17(10-12-20)18-6-4-7-19(24)15-18/h2-8,13-15,17,20H,9-12H2,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one?
2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one has a molecular weight of 378.90 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)cyclohexyl]-6-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 143706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).