2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione

C13H8ClNO3S — CID 67270650

IUPAC2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccc(Cl)s1
InChIInChI=1S/C13H8ClNO3S/c14-11-6-5-8(19-11)7-18-15-12(16)9-3-1-2-4-10(9)13(15)17/h1-6H,7H2
InChIKeyJYWYBBQKVQRLJV-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.13
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione

2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione (PubChem CID 67270650) has the molecular formula C13H8ClNO3S and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione
PubChem CID67270650
Molecular FormulaC13H8ClNO3S
Molecular Weight293.73 g/mol
Exact Mass292.99
IUPAC Name2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccc(Cl)s1
InChIInChI=1S/C13H8ClNO3S/c14-11-6-5-8(19-11)7-18-15-12(16)9-3-1-2-4-10(9)13(15)17/h1-6H,7H2
InChIKeyJYWYBBQKVQRLJV-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione (CID 67270650) is 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione?
The InChIKey is JYWYBBQKVQRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3S/c14-11-6-5-8(19-11)7-18-15-12(16)9-3-1-2-4-10(9)13(15)17/h1-6H,7H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione?
2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione has a molecular weight of 293.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 67270650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).