4-(4-chlorophenyl)phthalazin-1-olate

C14H8ClN2O- — CID 143625542

IUPAC4-(4-chlorophenyl)phthalazin-1-olate
SMILES[O-]c1nnc(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18)/p-1
InChIKeyZHLKSRYOYNILEG-UHFFFAOYSA-M
MW255.68 g/mol
LogP3.02
Rot. Bonds1

About 4-(4-chlorophenyl)phthalazin-1-olate

4-(4-chlorophenyl)phthalazin-1-olate (PubChem CID 143625542) has the molecular formula C14H8ClN2O- and a molecular weight of 255.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)phthalazin-1-olate.

Molecular Properties

Compound Name4-(4-chlorophenyl)phthalazin-1-olate
PubChem CID143625542
Molecular FormulaC14H8ClN2O-
Molecular Weight255.68 g/mol
Exact Mass255.03
IUPAC Name4-(4-chlorophenyl)phthalazin-1-olate
SMILES[O-]c1nnc(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18)/p-1
InChIKeyZHLKSRYOYNILEG-UHFFFAOYSA-M
XLogP3.02
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)phthalazin-1-olate?
The IUPAC name of 4-(4-chlorophenyl)phthalazin-1-olate (CID 143625542) is 4-(4-chlorophenyl)phthalazin-1-olate.
What is the SMILES notation for 4-(4-chlorophenyl)phthalazin-1-olate?
The canonical SMILES for 4-(4-chlorophenyl)phthalazin-1-olate is [O-]c1nnc(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 4-(4-chlorophenyl)phthalazin-1-olate?
The InChIKey is ZHLKSRYOYNILEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18)/p-1.
What are the key properties of 4-(4-chlorophenyl)phthalazin-1-olate?
4-(4-chlorophenyl)phthalazin-1-olate has a molecular weight of 255.68 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)phthalazin-1-olate is sourced from PubChem (CID 143625542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).