4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one

C22H18N2O2 — CID 15959127

IUPAC4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one
SMILESCOc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(25)24(23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyGHUXBTWUCFUMMA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.99
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one

4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one (PubChem CID 15959127) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one
PubChem CID15959127
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one
SMILESCOc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(25)24(23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyGHUXBTWUCFUMMA-UHFFFAOYSA-N
XLogP3.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one (CID 15959127) is 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one is COc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one?
The InChIKey is GHUXBTWUCFUMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(25)24(23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one?
4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one has a molecular weight of 342.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one is sourced from PubChem (CID 15959127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).