2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one

C18H18N2O3 — CID 2299361

IUPAC2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCOCCOc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-18-17-9-5-4-6-15(17)14-19-20(18)10-11-22-12-13-23-16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyOQVLQELURQBCTF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one

2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one (PubChem CID 2299361) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one
PubChem CID2299361
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCOCCOc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-18-17-9-5-4-6-15(17)14-19-20(18)10-11-22-12-13-23-16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyOQVLQELURQBCTF-UHFFFAOYSA-N
XLogP2.49
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
CID 10754920
2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
CID 159221966
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
5-(1-oxophthalazin-2-yl)pentanoic acid
CID 28971824
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]phthalazin-1-one
CID 25491199
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310
2-[[4-[3-(1-oxophthalazin-2-yl)propoxy]phenyl]methyl]pentanethioamide
CID 56998305
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one (CID 2299361) is 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one is O=c1c2ccccc2cnn1CCOCCOc1ccccc1.
What is the InChIKey of 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one?
The InChIKey is OQVLQELURQBCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-18-17-9-5-4-6-15(17)14-19-20(18)10-11-22-12-13-23-16-7-2-1-3-8-16/h1-9,14H,10-13H2.
What are the key properties of 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one?
2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one has a molecular weight of 310.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one is sourced from PubChem (CID 2299361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).