2-acetyl-4-(4-phenylphenyl)phthalazin-1-one

C22H16N2O2 — CID 14591946

IUPAC2-acetyl-4-(4-phenylphenyl)phthalazin-1-one
SMILESCC(=O)n1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H16N2O2/c1-15(25)24-22(26)20-10-6-5-9-19(20)21(23-24)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyHJJYZLPVRNWWFX-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.39
Rot. Bonds2

About 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one

2-acetyl-4-(4-phenylphenyl)phthalazin-1-one (PubChem CID 14591946) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-acetyl-4-(4-phenylphenyl)phthalazin-1-one
PubChem CID14591946
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-acetyl-4-(4-phenylphenyl)phthalazin-1-one
SMILESCC(=O)n1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H16N2O2/c1-15(25)24-22(26)20-10-6-5-9-19(20)21(23-24)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyHJJYZLPVRNWWFX-UHFFFAOYSA-N
XLogP4.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one?
The IUPAC name of 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one (CID 14591946) is 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one.
What is the SMILES notation for 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one?
The canonical SMILES for 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one is CC(=O)n1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one?
The InChIKey is HJJYZLPVRNWWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-15(25)24-22(26)20-10-6-5-9-19(20)21(23-24)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one?
2-acetyl-4-(4-phenylphenyl)phthalazin-1-one has a molecular weight of 340.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-(4-phenylphenyl)phthalazin-1-one is sourced from PubChem (CID 14591946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).