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

C17H14ClNO3 — CID 2226318

IUPAC2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-13-7-5-12(6-8-13)11-22-10-9-19-16(20)14-3-1-2-4-15(14)17(19)21/h1-8H,9-11H2
InChIKeyLOOQIUGQGBMXIZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.15
Rot. Bonds5

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

2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione (PubChem CID 2226318) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione
PubChem CID2226318
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-13-7-5-12(6-8-13)11-22-10-9-19-16(20)14-3-1-2-4-15(14)17(19)21/h1-8H,9-11H2
InChIKeyLOOQIUGQGBMXIZ-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione (CID 2226318) is 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione?
The InChIKey is LOOQIUGQGBMXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-13-7-5-12(6-8-13)11-22-10-9-19-16(20)14-3-1-2-4-15(14)17(19)21/h1-8H,9-11H2.
What are the key properties of 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione?
2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione has a molecular weight of 315.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2226318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).