1-benzyl-4-(4-fluorophenoxy)phthalazine

C21H15FN2O — CID 6404478

IUPAC1-benzyl-4-(4-fluorophenoxy)phthalazine
SMILESFc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H15FN2O/c22-16-10-12-17(13-11-16)25-21-19-9-5-4-8-18(19)20(23-24-21)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyLEEPPYSDALQDJH-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.15
Rot. Bonds4

About 1-benzyl-4-(4-fluorophenoxy)phthalazine

1-benzyl-4-(4-fluorophenoxy)phthalazine (PubChem CID 6404478) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenoxy)phthalazine.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenoxy)phthalazine
PubChem CID6404478
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name1-benzyl-4-(4-fluorophenoxy)phthalazine
SMILESFc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H15FN2O/c22-16-10-12-17(13-11-16)25-21-19-9-5-4-8-18(19)20(23-24-21)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyLEEPPYSDALQDJH-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenoxy)phthalazine?
The IUPAC name of 1-benzyl-4-(4-fluorophenoxy)phthalazine (CID 6404478) is 1-benzyl-4-(4-fluorophenoxy)phthalazine.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenoxy)phthalazine?
The canonical SMILES for 1-benzyl-4-(4-fluorophenoxy)phthalazine is Fc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenoxy)phthalazine?
The InChIKey is LEEPPYSDALQDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-16-10-12-17(13-11-16)25-21-19-9-5-4-8-18(19)20(23-24-21)14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 1-benzyl-4-(4-fluorophenoxy)phthalazine?
1-benzyl-4-(4-fluorophenoxy)phthalazine has a molecular weight of 330.36 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenoxy)phthalazine is sourced from PubChem (CID 6404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).