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

C26H24N2O2 — CID 12688555

IUPAC2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one
SMILESCc1ccc(-c2nn(CCO)c(=O)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-8-12-21(13-9-18)23-24(20-6-4-3-5-7-20)26(30)28(16-17-29)27-25(23)22-14-10-19(2)11-15-22/h3-15,29H,16-17H2,1-2H3
InChIKeyMKTGDZCSTYWIHY-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.85
Rot. Bonds5

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

2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one (PubChem CID 12688555) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one
PubChem CID12688555
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one
SMILESCc1ccc(-c2nn(CCO)c(=O)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-8-12-21(13-9-18)23-24(20-6-4-3-5-7-20)26(30)28(16-17-29)27-25(23)22-14-10-19(2)11-15-22/h3-15,29H,16-17H2,1-2H3
InChIKeyMKTGDZCSTYWIHY-UHFFFAOYSA-N
XLogP4.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one (CID 12688555) is 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one is Cc1ccc(-c2nn(CCO)c(=O)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one?
The InChIKey is MKTGDZCSTYWIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-8-12-21(13-9-18)23-24(20-6-4-3-5-7-20)26(30)28(16-17-29)27-25(23)22-14-10-19(2)11-15-22/h3-15,29H,16-17H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one?
2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one has a molecular weight of 396.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)-4-phenylpyridazin-3-one is sourced from PubChem (CID 12688555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).