4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one

C17H16N2O2 — CID 83046007

IUPAC4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
SMILESCOc1c(C)cc(-c2n[nH]c(=O)c3ccccc23)cc1C
InChIInChI=1S/C17H16N2O2/c1-10-8-12(9-11(2)16(10)21-3)15-13-6-4-5-7-14(13)17(20)19-18-15/h4-9H,1-3H3,(H,19,20)
InChIKeyHPFXDEDQEPCZGC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.22
Rot. Bonds2

About 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one

4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one (PubChem CID 83046007) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
PubChem CID83046007
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
SMILESCOc1c(C)cc(-c2n[nH]c(=O)c3ccccc23)cc1C
InChIInChI=1S/C17H16N2O2/c1-10-8-12(9-11(2)16(10)21-3)15-13-6-4-5-7-14(13)17(20)19-18-15/h4-9H,1-3H3,(H,19,20)
InChIKeyHPFXDEDQEPCZGC-UHFFFAOYSA-N
XLogP3.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
CID 106520396
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608
4-(5-bromo-2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 65432773
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-(2-bromo-4-methoxyphenyl)-2H-phthalazin-1-one
CID 60787131
4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one
CID 11777276
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2H-phthalazin-1-one
CID 52940422
4-(2,4,6-trimethylphenoxy)-2H-phthalazin-1-one
CID 135074583
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
CID 157040138

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one (CID 83046007) is 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one is COc1c(C)cc(-c2n[nH]c(=O)c3ccccc23)cc1C.
What is the InChIKey of 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one?
The InChIKey is HPFXDEDQEPCZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-8-12(9-11(2)16(10)21-3)15-13-6-4-5-7-14(13)17(20)19-18-15/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one?
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one has a molecular weight of 280.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 83046007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).