2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one

C23H20N2O3 — CID 24651197

IUPAC2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1CC(O)COc1ccccc1
InChIInChI=1S/C23H20N2O3/c26-18(16-28-19-11-5-2-6-12-19)15-25-23(27)21-14-8-7-13-20(21)22(24-25)17-9-3-1-4-10-17/h1-14,18,26H,15-16H2
InChIKeyNACYTLMIVDZIOP-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.50
Rot. Bonds6

About 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one

2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one (PubChem CID 24651197) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
PubChem CID24651197
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1CC(O)COc1ccccc1
InChIInChI=1S/C23H20N2O3/c26-18(16-28-19-11-5-2-6-12-19)15-25-23(27)21-14-8-7-13-20(21)22(24-25)17-9-3-1-4-10-17/h1-14,18,26H,15-16H2
InChIKeyNACYTLMIVDZIOP-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-hydroxy-3-(1-oxo-4-phenylphthalazin-2-yl)propoxy]benzoate
CID 46529511
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 24651279
2-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 26011478
2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 46529535
2-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one
CID 42942520
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methylphthalazin-1-one
CID 55535019
2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 36524382
methyl 4-[2-hydroxy-3-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propoxy]benzoate
CID 46632806
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 47556544
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
CID 139231441
4-[4-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]phenoxy]butyl-triphenylphosphanium
CID 127045979

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one (CID 24651197) is 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1CC(O)COc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one?
The InChIKey is NACYTLMIVDZIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-18(16-28-19-11-5-2-6-12-19)15-25-23(27)21-14-8-7-13-20(21)22(24-25)17-9-3-1-4-10-17/h1-14,18,26H,15-16H2.
What are the key properties of 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one?
2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one has a molecular weight of 372.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 24651197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).