4-(4-methoxyphenyl)-2H-phthalazin-1-one

C15H12N2O2 — CID 689103

IUPAC4-(4-methoxyphenyl)-2H-phthalazin-1-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
InChIKeyRYLLTTFNKPGBNO-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 4-(4-methoxyphenyl)-2H-phthalazin-1-one

4-(4-methoxyphenyl)-2H-phthalazin-1-one (PubChem CID 689103) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2H-phthalazin-1-one
PubChem CID689103
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(4-methoxyphenyl)-2H-phthalazin-1-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
InChIKeyRYLLTTFNKPGBNO-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-methoxyphenyl)-2H-phthalazin-1-one (CID 689103) is 4-(4-methoxyphenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2H-phthalazin-1-one is COc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2H-phthalazin-1-one?
The InChIKey is RYLLTTFNKPGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18).
What are the key properties of 4-(4-methoxyphenyl)-2H-phthalazin-1-one?
4-(4-methoxyphenyl)-2H-phthalazin-1-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 689103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).