4-(hydroxymethyl)-2-phenylphthalazin-1-one

C15H12N2O2 — CID 12649918

IUPAC4-(hydroxymethyl)-2-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(CO)nn1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-10-14-12-8-4-5-9-13(12)15(19)17(16-14)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyCLOPGIKCLPOLLU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.88
Rot. Bonds2

About 4-(hydroxymethyl)-2-phenylphthalazin-1-one

4-(hydroxymethyl)-2-phenylphthalazin-1-one (PubChem CID 12649918) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-phenylphthalazin-1-one
PubChem CID12649918
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(hydroxymethyl)-2-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(CO)nn1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-10-14-12-8-4-5-9-13(12)15(19)17(16-14)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyCLOPGIKCLPOLLU-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-phenylphthalazin-1-one?
The IUPAC name of 4-(hydroxymethyl)-2-phenylphthalazin-1-one (CID 12649918) is 4-(hydroxymethyl)-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-phenylphthalazin-1-one?
The canonical SMILES for 4-(hydroxymethyl)-2-phenylphthalazin-1-one is O=c1c2ccccc2c(CO)nn1-c1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)-2-phenylphthalazin-1-one?
The InChIKey is CLOPGIKCLPOLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-10-14-12-8-4-5-9-13(12)15(19)17(16-14)11-6-2-1-3-7-11/h1-9,18H,10H2.
What are the key properties of 4-(hydroxymethyl)-2-phenylphthalazin-1-one?
4-(hydroxymethyl)-2-phenylphthalazin-1-one has a molecular weight of 252.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-phenylphthalazin-1-one is sourced from PubChem (CID 12649918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).