4-(4-methylphenyl)-4H-phthalazin-1-one

C15H12N2O — CID 46784026

IUPAC4-(4-methylphenyl)-4H-phthalazin-1-one
SMILESCc1ccc(C2N=NC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9,14H,1H3
InChIKeyIEWXETPNCXMXEH-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.69
Rot. Bonds1

About 4-(4-methylphenyl)-4H-phthalazin-1-one

4-(4-methylphenyl)-4H-phthalazin-1-one (PubChem CID 46784026) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-4H-phthalazin-1-one
PubChem CID46784026
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-(4-methylphenyl)-4H-phthalazin-1-one
SMILESCc1ccc(C2N=NC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9,14H,1H3
InChIKeyIEWXETPNCXMXEH-UHFFFAOYSA-N
XLogP3.69
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)-4H-phthalazin-1-one
CID 52984179
4-(3-nitro-4-piperidin-1-ylphenyl)-4H-phthalazin-1-one
CID 78293405
6-(4-oxo-1H-phthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 169491426
4-butyl-4H-phthalazin-1-one
CID 67689595
4-(2-hydroxyethyl)-4H-phthalazin-1-one
CID 19957086
N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide
CID 78206341
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
2-(4-methylphenyl)-2,3-dihydro-1H-4,1-benzoxazepin-5-one
CID 102291977
(3R,4S)-4-(4-methylphenyl)sulfanyl-3-phenyl-3,4-dihydroisochromen-1-one
CID 164670090
2-[(2S)-2-(4-methylphenyl)aziridin-1-yl]isoindole-1,3-dione
CID 102591338
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4H-phthalazin-1-one?
The IUPAC name of 4-(4-methylphenyl)-4H-phthalazin-1-one (CID 46784026) is 4-(4-methylphenyl)-4H-phthalazin-1-one.
What is the SMILES notation for 4-(4-methylphenyl)-4H-phthalazin-1-one?
The canonical SMILES for 4-(4-methylphenyl)-4H-phthalazin-1-one is Cc1ccc(C2N=NC(=O)c3ccccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4H-phthalazin-1-one?
The InChIKey is IEWXETPNCXMXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9,14H,1H3.
What are the key properties of 4-(4-methylphenyl)-4H-phthalazin-1-one?
4-(4-methylphenyl)-4H-phthalazin-1-one has a molecular weight of 236.27 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4H-phthalazin-1-one is sourced from PubChem (CID 46784026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).