4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one

C16H13FN2O2 — CID 2806474

IUPAC4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCO
InChIInChI=1S/C16H13FN2O2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(21)19(18-15)9-10-20/h1-8,20H,9-10H2
InChIKeyKSQQOCAPUOCHCN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one

4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one (PubChem CID 2806474) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one
PubChem CID2806474
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCO
InChIInChI=1S/C16H13FN2O2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(21)19(18-15)9-10-20/h1-8,20H,9-10H2
InChIKeyKSQQOCAPUOCHCN-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one (CID 2806474) is 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one is O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCO.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one?
The InChIKey is KSQQOCAPUOCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(21)19(18-15)9-10-20/h1-8,20H,9-10H2.
What are the key properties of 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one?
4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one has a molecular weight of 284.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-hydroxyethyl)phthalazin-1-one is sourced from PubChem (CID 2806474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).