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

C15H11ClN2O — CID 106520396

IUPAC4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
SMILESCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C15H11ClN2O/c1-9-6-7-10(8-13(9)16)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19)
InChIKeyUXJVRZSJQSFPQK-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.55
Rot. Bonds1

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

4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one (PubChem CID 106520396) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
PubChem CID106520396
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
SMILESCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C15H11ClN2O/c1-9-6-7-10(8-13(9)16)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19)
InChIKeyUXJVRZSJQSFPQK-UHFFFAOYSA-N
XLogP3.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one (CID 106520396) is 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one is Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one?
The InChIKey is UXJVRZSJQSFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-9-6-7-10(8-13(9)16)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19).
What are the key properties of 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one?
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one has a molecular weight of 270.72 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 106520396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).