2-(2-methylpropyl)-4-phenylphthalazin-1-one

C18H18N2O — CID 722796

IUPAC2-(2-methylpropyl)-4-phenylphthalazin-1-one
SMILESCC(C)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H18N2O/c1-13(2)12-20-18(21)16-11-7-6-10-15(16)17(19-20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyDNXIBLBDRWCOAO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.72
Rot. Bonds3

About 2-(2-methylpropyl)-4-phenylphthalazin-1-one

2-(2-methylpropyl)-4-phenylphthalazin-1-one (PubChem CID 722796) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-phenylphthalazin-1-one
PubChem CID722796
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(2-methylpropyl)-4-phenylphthalazin-1-one
SMILESCC(C)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H18N2O/c1-13(2)12-20-18(21)16-11-7-6-10-15(16)17(19-20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyDNXIBLBDRWCOAO-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(2-methylpropyl)-4-phenylphthalazin-1-one (CID 722796) is 2-(2-methylpropyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(2-methylpropyl)-4-phenylphthalazin-1-one is CC(C)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(2-methylpropyl)-4-phenylphthalazin-1-one?
The InChIKey is DNXIBLBDRWCOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)12-20-18(21)16-11-7-6-10-15(16)17(19-20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4-phenylphthalazin-1-one?
2-(2-methylpropyl)-4-phenylphthalazin-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 722796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).