2-methyl-4-phenylphthalazin-1-one

C15H12N2O — CID 845362

IUPAC2-methyl-4-phenylphthalazin-1-one
SMILESCn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C15H12N2O/c1-17-15(18)13-10-6-5-9-12(13)14(16-17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyQRDOSBPOPGXXHQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.60
Rot. Bonds1

About 2-methyl-4-phenylphthalazin-1-one

2-methyl-4-phenylphthalazin-1-one (PubChem CID 845362) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-phenylphthalazin-1-one
PubChem CID845362
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-methyl-4-phenylphthalazin-1-one
SMILESCn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C15H12N2O/c1-17-15(18)13-10-6-5-9-12(13)14(16-17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyQRDOSBPOPGXXHQ-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
4-Benzyl-1(2H)-phthalazinone
CID 616651
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
1-Hydroxy-4-methylphthalazine
CID 21103
2-Methylphthalazin-1-one
CID 313378
(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acid
CID 646907
2-(4-Methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid
CID 819380
Talastine
CID 65624
4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one
CID 11522042
2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H)-one
CID 2052803
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-{4-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl}-1,2-dihydrophthalazin-1-one
CID 25218517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylphthalazin-1-one?
The IUPAC name of 2-methyl-4-phenylphthalazin-1-one (CID 845362) is 2-methyl-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-methyl-4-phenylphthalazin-1-one?
The canonical SMILES for 2-methyl-4-phenylphthalazin-1-one is Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-phenylphthalazin-1-one?
The InChIKey is QRDOSBPOPGXXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-15(18)13-10-6-5-9-12(13)14(16-17)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 2-methyl-4-phenylphthalazin-1-one?
2-methyl-4-phenylphthalazin-1-one has a molecular weight of 236.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylphthalazin-1-one is sourced from PubChem (CID 845362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).