4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one

C22H16F2N2O2 — CID 94600109

IUPAC4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[C@H](O)c1ccccc1
InChIInChI=1S/C22H16F2N2O2/c23-18-11-10-15(12-19(18)24)21-16-8-4-5-9-17(16)22(28)26(25-21)13-20(27)14-6-2-1-3-7-14/h1-12,20,27H,13H2/t20-/m0/s1
InChIKeyPHGGHOKSWQIKNZ-FQEVSTJZSA-N
MW378.38 g/mol
LogP4.08
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one

4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one (PubChem CID 94600109) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one
PubChem CID94600109
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[C@H](O)c1ccccc1
InChIInChI=1S/C22H16F2N2O2/c23-18-11-10-15(12-19(18)24)21-16-8-4-5-9-17(16)22(28)26(25-21)13-20(27)14-6-2-1-3-7-14/h1-12,20,27H,13H2/t20-/m0/s1
InChIKeyPHGGHOKSWQIKNZ-FQEVSTJZSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]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-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
CID 78881007
3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-oxophthalazine-1-carboxamide
CID 110897787
3-(2-hydroxy-2-phenylethyl)-N-methyl-4-oxophthalazine-1-carboxamide
CID 42942523
6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
CID 56795006
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-thiophen-2-ylphthalazin-1-one
CID 71897733
2-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 26011478
2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
CID 24651197
4-(3,4-difluorophenyl)-2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]phthalazin-1-one
CID 60526462
2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
CID 51728787
2-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one
CID 94386417
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-4-(3,4-difluorophenyl)phthalazin-1-one
CID 55735393
N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide
CID 33099057

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one?
The IUPAC name of 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one (CID 94600109) is 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one is O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[C@H](O)c1ccccc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one?
The InChIKey is PHGGHOKSWQIKNZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-18-11-10-15(12-19(18)24)21-16-8-4-5-9-17(16)22(28)26(25-21)13-20(27)14-6-2-1-3-7-14/h1-12,20,27H,13H2/t20-/m0/s1.
What are the key properties of 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one?
4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one has a molecular weight of 378.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one is sourced from PubChem (CID 94600109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).