2-(2-phenoxyethyl)phthalazin-1-one

C16H14N2O2 — CID 803124

IUPAC2-(2-phenoxyethyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCOc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-15-9-5-4-6-13(15)12-17-18(16)10-11-20-14-7-2-1-3-8-14/h1-9,12H,10-11H2
InChIKeyQMOOEGAUXHIARK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-phenoxyethyl)phthalazin-1-one

2-(2-phenoxyethyl)phthalazin-1-one (PubChem CID 803124) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(2-phenoxyethyl)phthalazin-1-one
PubChem CID803124
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(2-phenoxyethyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCOc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-15-9-5-4-6-13(15)12-17-18(16)10-11-20-14-7-2-1-3-8-14/h1-9,12H,10-11H2
InChIKeyQMOOEGAUXHIARK-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)phthalazin-1-one?
The IUPAC name of 2-(2-phenoxyethyl)phthalazin-1-one (CID 803124) is 2-(2-phenoxyethyl)phthalazin-1-one.
What is the SMILES notation for 2-(2-phenoxyethyl)phthalazin-1-one?
The canonical SMILES for 2-(2-phenoxyethyl)phthalazin-1-one is O=c1c2ccccc2cnn1CCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethyl)phthalazin-1-one?
The InChIKey is QMOOEGAUXHIARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16-15-9-5-4-6-13(15)12-17-18(16)10-11-20-14-7-2-1-3-8-14/h1-9,12H,10-11H2.
What are the key properties of 2-(2-phenoxyethyl)phthalazin-1-one?
2-(2-phenoxyethyl)phthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)phthalazin-1-one is sourced from PubChem (CID 803124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).