2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione

C19H17NO5 — CID 70118493

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCOc1cccc2c1OCCO2
InChIInChI=1S/C19H17NO5/c21-18-13-5-1-2-6-14(13)19(22)20(18)9-4-10-23-15-7-3-8-16-17(15)25-12-11-24-16/h1-3,5-8H,4,9-12H2
InChIKeyGQSQTTRREYJDMJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione

2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione (PubChem CID 70118493) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione
PubChem CID70118493
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCOc1cccc2c1OCCO2
InChIInChI=1S/C19H17NO5/c21-18-13-5-1-2-6-14(13)19(22)20(18)9-4-10-23-15-7-3-8-16-17(15)25-12-11-24-16/h1-3,5-8H,4,9-12H2
InChIKeyGQSQTTRREYJDMJ-UHFFFAOYSA-N
XLogP2.52
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butyl]isoindole-1,3-dione
CID 141497345
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl methanesulfonate
CID 87870295
3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-ethylpropan-1-amine chloride
CID 21228871
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844
3-(2-hexoxyphenoxy)propan-1-amine;2-[3-(2-hexoxyphenoxy)propyl]isoindole-1,3-dione
CID 159194160
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
2-[5-[3-ethyl-2-(2-ethylphenyl)phenoxy]pentyl]isoindole-1,3-dione
CID 70494796
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
2-[5-(2-nitrophenoxy)pentyl]isoindole-1,3-dione
CID 90431397
2-[4-(3-methyl-2-nitrophenoxy)butyl]isoindole-1,3-dione
CID 112828307
2-[4-(2-bromo-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112788012

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione (CID 70118493) is 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCOc1cccc2c1OCCO2.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione?
The InChIKey is GQSQTTRREYJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-18-13-5-1-2-6-14(13)19(22)20(18)9-4-10-23-15-7-3-8-16-17(15)25-12-11-24-16/h1-3,5-8H,4,9-12H2.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione?
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione has a molecular weight of 339.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione is sourced from PubChem (CID 70118493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).