2-[methoxy(phenyl)methyl]phthalazin-1-one

C16H14N2O2 — CID 172771685

IUPAC2-[methoxy(phenyl)methyl]phthalazin-1-one
SMILESCOC(c1ccccc1)n1ncc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c1-20-16(12-7-3-2-4-8-12)18-15(19)14-10-6-5-9-13(14)11-17-18/h2-11,16H,1H3
InChIKeyNAROGBFRYNZBIJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.59
Rot. Bonds3

About 2-[methoxy(phenyl)methyl]phthalazin-1-one

2-[methoxy(phenyl)methyl]phthalazin-1-one (PubChem CID 172771685) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]phthalazin-1-one
PubChem CID172771685
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[methoxy(phenyl)methyl]phthalazin-1-one
SMILESCOC(c1ccccc1)n1ncc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c1-20-16(12-7-3-2-4-8-12)18-15(19)14-10-6-5-9-13(14)11-17-18/h2-11,16H,1H3
InChIKeyNAROGBFRYNZBIJ-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]phthalazin-1-one?
The IUPAC name of 2-[methoxy(phenyl)methyl]phthalazin-1-one (CID 172771685) is 2-[methoxy(phenyl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[methoxy(phenyl)methyl]phthalazin-1-one is COC(c1ccccc1)n1ncc2ccccc2c1=O.
What is the InChIKey of 2-[methoxy(phenyl)methyl]phthalazin-1-one?
The InChIKey is NAROGBFRYNZBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(12-7-3-2-4-8-12)18-15(19)14-10-6-5-9-13(14)11-17-18/h2-11,16H,1H3.
What are the key properties of 2-[methoxy(phenyl)methyl]phthalazin-1-one?
2-[methoxy(phenyl)methyl]phthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]phthalazin-1-one is sourced from PubChem (CID 172771685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).