2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one

C15H18N2O3 — CID 19979310

IUPAC2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCOC1CCCCO1
InChIInChI=1S/C15H18N2O3/c18-15-13-6-2-1-5-12(13)11-16-17(15)8-10-20-14-7-3-4-9-19-14/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyHLMNHWAMHNYFEU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one

2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one (PubChem CID 19979310) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
PubChem CID19979310
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCOC1CCCCO1
InChIInChI=1S/C15H18N2O3/c18-15-13-6-2-1-5-12(13)11-16-17(15)8-10-20-14-7-3-4-9-19-14/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyHLMNHWAMHNYFEU-UHFFFAOYSA-N
XLogP1.94
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 119037797
1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
CID 99837452
2-[[bis(oxolan-2-ylmethyl)amino]methyl]phthalazin-1-one
CID 47060692
4-chloro-6-methylsulfanyl-1-[2-(oxan-2-yloxy)ethyl]pyrazolo[5,4-d]pyrimidine
CID 72720923
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
CID 77211492
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
CID 159221966
2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
CID 10754920
2-(5-chloropentyl)phthalazin-1-one
CID 43348317

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one (CID 19979310) is 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one is O=c1c2ccccc2cnn1CCOC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one?
The InChIKey is HLMNHWAMHNYFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15-13-6-2-1-5-12(13)11-16-17(15)8-10-20-14-7-3-4-9-19-14/h1-2,5-6,11,14H,3-4,7-10H2.
What are the key properties of 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one?
2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one has a molecular weight of 274.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one is sourced from PubChem (CID 19979310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).