5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one

C24H18Cl2N2O2 — CID 12688570

IUPAC5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C24H18Cl2N2O2/c25-19-10-6-17(7-11-19)21-22(16-4-2-1-3-5-16)24(30)28(14-15-29)27-23(21)18-8-12-20(26)13-9-18/h1-13,29H,14-15H2
InChIKeyAZNCBSMKOFLMRX-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.54
Rot. Bonds5

About 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one

5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one (PubChem CID 12688570) has the molecular formula C24H18Cl2N2O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one
PubChem CID12688570
Molecular FormulaC24H18Cl2N2O2
Molecular Weight437.33 g/mol
Exact Mass436.07
IUPAC Name5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C24H18Cl2N2O2/c25-19-10-6-17(7-11-19)21-22(16-4-2-1-3-5-16)24(30)28(14-15-29)27-23(21)18-8-12-20(26)13-9-18/h1-13,29H,14-15H2
InChIKeyAZNCBSMKOFLMRX-UHFFFAOYSA-N
XLogP5.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one?
The IUPAC name of 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one (CID 12688570) is 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one is O=c1c(-c2ccccc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn1CCO.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one?
The InChIKey is AZNCBSMKOFLMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2/c25-19-10-6-17(7-11-19)21-22(16-4-2-1-3-5-16)24(30)28(14-15-29)27-23(21)18-8-12-20(26)13-9-18/h1-13,29H,14-15H2.
What are the key properties of 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one?
5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one has a molecular weight of 437.33 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-4-phenylpyridazin-3-one is sourced from PubChem (CID 12688570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).