2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate

C14H16N2O4 — CID 10754920

IUPAC2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCn1ncc2ccccc2c1=O
InChIInChI=1S/C14H16N2O4/c1-11(17)20-9-8-19-7-6-16-14(18)13-5-3-2-4-12(13)10-15-16/h2-5,10H,6-9H2,1H3
InChIKeyGRRGOMIJBMGCEC-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.98
Rot. Bonds6

About 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate

2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate (PubChem CID 10754920) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
PubChem CID10754920
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCn1ncc2ccccc2c1=O
InChIInChI=1S/C14H16N2O4/c1-11(17)20-9-8-19-7-6-16-14(18)13-5-3-2-4-12(13)10-15-16/h2-5,10H,6-9H2,1H3
InChIKeyGRRGOMIJBMGCEC-UHFFFAOYSA-N
XLogP0.98
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate (CID 10754920) is 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate is CC(=O)OCCOCCn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate?
The InChIKey is GRRGOMIJBMGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-11(17)20-9-8-19-7-6-16-14(18)13-5-3-2-4-12(13)10-15-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate?
2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate has a molecular weight of 276.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate is sourced from PubChem (CID 10754920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).