4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one

C24H22N2O3 — CID 4882337

IUPAC4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one
SMILESCCOc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OCC
InChIInChI=1S/C24H22N2O3/c1-3-28-21-15-14-17(16-22(21)29-4-2)23-19-12-8-9-13-20(19)24(27)26(25-23)18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3
InChIKeyVOCWGSUAQRQROS-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.85
Rot. Bonds6

About 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one

4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one (PubChem CID 4882337) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one
PubChem CID4882337
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one
SMILESCCOc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OCC
InChIInChI=1S/C24H22N2O3/c1-3-28-21-15-14-17(16-22(21)29-4-2)23-19-12-8-9-13-20(19)24(27)26(25-23)18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3
InChIKeyVOCWGSUAQRQROS-UHFFFAOYSA-N
XLogP4.85
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one?
The IUPAC name of 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one (CID 4882337) is 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one is CCOc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one?
The InChIKey is VOCWGSUAQRQROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-3-28-21-15-14-17(16-22(21)29-4-2)23-19-12-8-9-13-20(19)24(27)26(25-23)18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3.
What are the key properties of 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one?
4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one has a molecular weight of 386.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one is sourced from PubChem (CID 4882337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).