2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one

C25H24N2O4 — CID 24651279

IUPAC2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
SMILESCOc1ccc(OCC(O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C25H24N2O4/c1-17-7-9-18(10-8-17)24-22-5-3-4-6-23(22)25(29)27(26-24)15-19(28)16-31-21-13-11-20(30-2)12-14-21/h3-14,19,28H,15-16H2,1-2H3
InChIKeyHXSVKEZSMOOEHU-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one

2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one (PubChem CID 24651279) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
PubChem CID24651279
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
SMILESCOc1ccc(OCC(O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C25H24N2O4/c1-17-7-9-18(10-8-17)24-22-5-3-4-6-23(22)25(29)27(26-24)15-19(28)16-31-21-13-11-20(30-2)12-14-21/h3-14,19,28H,15-16H2,1-2H3
InChIKeyHXSVKEZSMOOEHU-UHFFFAOYSA-N
XLogP3.82
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one?
The IUPAC name of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one (CID 24651279) is 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one.
What is the SMILES notation for 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one?
The canonical SMILES for 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one is COc1ccc(OCC(O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one?
The InChIKey is HXSVKEZSMOOEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-7-9-18(10-8-17)24-22-5-3-4-6-23(22)25(29)27(26-24)15-19(28)16-31-21-13-11-20(30-2)12-14-21/h3-14,19,28H,15-16H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one?
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one has a molecular weight of 416.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one is sourced from PubChem (CID 24651279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).