4-tert-butyl-2-phenylphthalazin-1-one

C18H18N2O — CID 134094588

IUPAC4-tert-butyl-2-phenylphthalazin-1-one
SMILESCC(C)(C)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-18(2,3)16-14-11-7-8-12-15(14)17(21)20(19-16)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyBLUHUCXVLSGYEQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.68
Rot. Bonds1

About 4-tert-butyl-2-phenylphthalazin-1-one

4-tert-butyl-2-phenylphthalazin-1-one (PubChem CID 134094588) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-tert-butyl-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-phenylphthalazin-1-one
PubChem CID134094588
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-tert-butyl-2-phenylphthalazin-1-one
SMILESCC(C)(C)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-18(2,3)16-14-11-7-8-12-15(14)17(21)20(19-16)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyBLUHUCXVLSGYEQ-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-2-phenylphthalazin-1-one
CID 102110654
N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
CID 52937819
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
4-(hydroxymethyl)-2-phenylphthalazin-1-one
CID 12649918
3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778863
3,4-ditert-butyl-5-methyl-1-phenylpyrazole
CID 15349956
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
2-(4-bromophenyl)-4-methylphthalazin-1-one
CID 755477
3-tert-butyl-2-phenylindazole
CID 21044962
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenylphthalazin-1-one?
The IUPAC name of 4-tert-butyl-2-phenylphthalazin-1-one (CID 134094588) is 4-tert-butyl-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-tert-butyl-2-phenylphthalazin-1-one?
The canonical SMILES for 4-tert-butyl-2-phenylphthalazin-1-one is CC(C)(C)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 4-tert-butyl-2-phenylphthalazin-1-one?
The InChIKey is BLUHUCXVLSGYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)16-14-11-7-8-12-15(14)17(21)20(19-16)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 4-tert-butyl-2-phenylphthalazin-1-one?
4-tert-butyl-2-phenylphthalazin-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenylphthalazin-1-one is sourced from PubChem (CID 134094588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).