2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione

C18H17NO3 — CID 17368121

IUPAC2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
SMILESCCc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO3/c1-2-13-7-9-14(10-8-13)22-12-11-19-17(20)15-5-3-4-6-16(15)18(19)21/h3-10H,2,11-12H2,1H3
InChIKeyNYCPWSZENQTRJG-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione

2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione (PubChem CID 17368121) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
PubChem CID17368121
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
SMILESCCc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO3/c1-2-13-7-9-14(10-8-13)22-12-11-19-17(20)15-5-3-4-6-16(15)18(19)21/h3-10H,2,11-12H2,1H3
InChIKeyNYCPWSZENQTRJG-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
CID 7211840
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-ethoxyphenyl)propanoate
CID 19226189
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]benzonitrile
CID 7670851
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
2-[2-(4-chloro-3-methylphenoxy)ethyl]isoindole-1,3-dione
CID 7542719
2-[3-[4-(3-hydroxypropyl)phenoxy]propyl]isoindole-1,3-dione
CID 11515611
3-(1,3-dioxoisoindol-2-yl)propyl 2-(4-ethoxyphenyl)acetate
CID 110495054
2-[2-(2-methylisoquinolin-2-ium-6-yl)oxyethyl]isoindole-1,3-dione bromide
CID 21418184

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione (CID 17368121) is 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione is CCc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione?
The InChIKey is NYCPWSZENQTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-13-7-9-14(10-8-13)22-12-11-19-17(20)15-5-3-4-6-16(15)18(19)21/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione?
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione has a molecular weight of 295.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 17368121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).