4-(4-chlorophenyl)-2H-phthalazin-1-one

C14H9ClN2O — CID 689084

IUPAC4-(4-chlorophenyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-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)
InChIKeyZHLKSRYOYNILEG-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.24
Rot. Bonds1

About 4-(4-chlorophenyl)-2H-phthalazin-1-one

4-(4-chlorophenyl)-2H-phthalazin-1-one (PubChem CID 689084) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2H-phthalazin-1-one
PubChem CID689084
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name4-(4-chlorophenyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-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)
InChIKeyZHLKSRYOYNILEG-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-chlorophenyl)-2H-phthalazin-1-one (CID 689084) is 4-(4-chlorophenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-2H-phthalazin-1-one is O=c1[nH]nc(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 4-(4-chlorophenyl)-2H-phthalazin-1-one?
The InChIKey is ZHLKSRYOYNILEG-UHFFFAOYSA-N. 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).
What are the key properties of 4-(4-chlorophenyl)-2H-phthalazin-1-one?
4-(4-chlorophenyl)-2H-phthalazin-1-one has a molecular weight of 256.69 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 689084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).