6-chloro-4-phenyl-2H-phthalazin-1-one

C14H9ClN2O — CID 134109277

IUPAC6-chloro-4-phenyl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C14H9ClN2O/c15-10-6-7-11-12(8-10)13(16-17-14(11)18)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyVTVNDRVPIDYFOB-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.24
Rot. Bonds1

About 6-chloro-4-phenyl-2H-phthalazin-1-one

6-chloro-4-phenyl-2H-phthalazin-1-one (PubChem CID 134109277) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-2H-phthalazin-1-one
PubChem CID134109277
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name6-chloro-4-phenyl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C14H9ClN2O/c15-10-6-7-11-12(8-10)13(16-17-14(11)18)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyVTVNDRVPIDYFOB-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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Related Compounds

4-(4-chlorobenzyl)phthalazin-1(2H)-one
CID 104452
4-Phenyl-1-(2H)-phthalazinone
CID 219150
N'-[(E)-(4-chlorophenyl)methylidene]benzohydrazide
CID 6861534
4-Benzyl-1(2H)-phthalazinone
CID 616651
n'-(3-Chlorobenzylidene)benzohydrazide
CID 6861478
4-chlorophthalazin-1(2H)-one
CID 2775142
4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one
CID 11522042
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
4-chloro-N'-cyclopentylidenebenzohydrazide
CID 774234
2-chloro-N'-[(1Z)-1-phenylbutylidene]benzohydrazide
CID 6526242
4-(2-chlorobenzyl)phthalazin-1(2H)-one
CID 15959081
4-[(2,4-Dichlorophenyl)methyl]-1(2H)-phthalazinone
CID 1480456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2H-phthalazin-1-one?
The IUPAC name of 6-chloro-4-phenyl-2H-phthalazin-1-one (CID 134109277) is 6-chloro-4-phenyl-2H-phthalazin-1-one.
What is the SMILES notation for 6-chloro-4-phenyl-2H-phthalazin-1-one?
The canonical SMILES for 6-chloro-4-phenyl-2H-phthalazin-1-one is O=c1[nH]nc(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-4-phenyl-2H-phthalazin-1-one?
The InChIKey is VTVNDRVPIDYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-10-6-7-11-12(8-10)13(16-17-14(11)18)9-4-2-1-3-5-9/h1-8H,(H,17,18).
What are the key properties of 6-chloro-4-phenyl-2H-phthalazin-1-one?
6-chloro-4-phenyl-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 6-chloro-4-phenyl-2H-phthalazin-1-one is sourced from PubChem (CID 134109277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).