4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one

C21H16N2O2 — CID 4686009

IUPAC4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one
SMILESCc1ccc(O)c(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H16N2O2/c1-14-11-12-19(24)18(13-14)20-16-9-5-6-10-17(16)21(25)23(22-20)15-7-3-2-4-8-15/h2-13,24H,1H3
InChIKeyDEZZWDCPPYGPMB-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.07
Rot. Bonds2

About 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one

4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one (PubChem CID 4686009) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one
PubChem CID4686009
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one
SMILESCc1ccc(O)c(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H16N2O2/c1-14-11-12-19(24)18(13-14)20-16-9-5-6-10-17(16)21(25)23(22-20)15-7-3-2-4-8-15/h2-13,24H,1H3
InChIKeyDEZZWDCPPYGPMB-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one?
The IUPAC name of 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one (CID 4686009) is 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one?
The canonical SMILES for 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one is Cc1ccc(O)c(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c1.
What is the InChIKey of 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one?
The InChIKey is DEZZWDCPPYGPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-11-12-19(24)18(13-14)20-16-9-5-6-10-17(16)21(25)23(22-20)15-7-3-2-4-8-15/h2-13,24H,1H3.
What are the key properties of 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one?
4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one has a molecular weight of 328.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one is sourced from PubChem (CID 4686009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).