4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one

C15H11ClN2O — CID 15959081

IUPAC4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
InChIKeyNXXMGRASOYMKFM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.17
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one

4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one (PubChem CID 15959081) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one
PubChem CID15959081
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
InChIKeyNXXMGRASOYMKFM-UHFFFAOYSA-N
XLogP3.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one (CID 15959081) is 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one is O=c1[nH]nc(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one?
The InChIKey is NXXMGRASOYMKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one?
4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one has a molecular weight of 270.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 15959081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).