2-(3-chloro-4-methylphenyl)phthalazin-1-one

C15H11ClN2O — CID 2460931

IUPAC2-(3-chloro-4-methylphenyl)phthalazin-1-one
SMILESCc1ccc(-n2ncc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C15H11ClN2O/c1-10-6-7-12(8-14(10)16)18-15(19)13-5-3-2-4-11(13)9-17-18/h2-9H,1H3
InChIKeyNPRSYIMJIISRSC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.35
Rot. Bonds1

About 2-(3-chloro-4-methylphenyl)phthalazin-1-one

2-(3-chloro-4-methylphenyl)phthalazin-1-one (PubChem CID 2460931) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)phthalazin-1-one
PubChem CID2460931
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-(3-chloro-4-methylphenyl)phthalazin-1-one
SMILESCc1ccc(-n2ncc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C15H11ClN2O/c1-10-6-7-12(8-14(10)16)18-15(19)13-5-3-2-4-11(13)9-17-18/h2-9H,1H3
InChIKeyNPRSYIMJIISRSC-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)phthalazin-1-one?
The IUPAC name of 2-(3-chloro-4-methylphenyl)phthalazin-1-one (CID 2460931) is 2-(3-chloro-4-methylphenyl)phthalazin-1-one.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)phthalazin-1-one?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)phthalazin-1-one is Cc1ccc(-n2ncc3ccccc3c2=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)phthalazin-1-one?
The InChIKey is NPRSYIMJIISRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-6-7-12(8-14(10)16)18-15(19)13-5-3-2-4-11(13)9-17-18/h2-9H,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)phthalazin-1-one?
2-(3-chloro-4-methylphenyl)phthalazin-1-one has a molecular weight of 270.72 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)phthalazin-1-one is sourced from PubChem (CID 2460931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).