2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one

C17H15FN2O2 — CID 51728787

IUPAC2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
SMILESCc1nn(C[C@H](O)c2ccccc2F)c(=O)c2ccccc12
InChIInChI=1S/C17H15FN2O2/c1-11-12-6-2-3-7-13(12)17(22)20(19-11)10-16(21)14-8-4-5-9-15(14)18/h2-9,16,21H,10H2,1H3/t16-/m0/s1
InChIKeyOILBWCGVBRDTFP-INIZCTEOSA-N
MW298.32 g/mol
LogP2.58
Rot. Bonds3

About 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one

2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one (PubChem CID 51728787) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
PubChem CID51728787
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
SMILESCc1nn(C[C@H](O)c2ccccc2F)c(=O)c2ccccc12
InChIInChI=1S/C17H15FN2O2/c1-11-12-6-2-3-7-13(12)17(22)20(19-11)10-16(21)14-8-4-5-9-15(14)18/h2-9,16,21H,10H2,1H3/t16-/m0/s1
InChIKeyOILBWCGVBRDTFP-INIZCTEOSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one (CID 51728787) is 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one is Cc1nn(C[C@H](O)c2ccccc2F)c(=O)c2ccccc12.
What is the InChIKey of 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one?
The InChIKey is OILBWCGVBRDTFP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-12-6-2-3-7-13(12)17(22)20(19-11)10-16(21)14-8-4-5-9-15(14)18/h2-9,16,21H,10H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one?
2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one has a molecular weight of 298.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 51728787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).