4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione

C10H5Cl4NO3 — CID 4140786

IUPAC4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCO
InChIInChI=1S/C10H5Cl4NO3/c11-5-3-4(6(12)8(14)7(5)13)10(18)15(1-2-16)9(3)17/h16H,1-2H2
InChIKeyZRPAQGZLVSNGGS-UHFFFAOYSA-N
MW328.97 g/mol
LogP2.89
Rot. Bonds2

About 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione

4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione (PubChem CID 4140786) has the molecular formula C10H5Cl4NO3 and a molecular weight of 328.97 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione
PubChem CID4140786
Molecular FormulaC10H5Cl4NO3
Molecular Weight328.97 g/mol
Exact Mass326.90
IUPAC Name4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCO
InChIInChI=1S/C10H5Cl4NO3/c11-5-3-4(6(12)8(14)7(5)13)10(18)15(1-2-16)9(3)17/h16H,1-2H2
InChIKeyZRPAQGZLVSNGGS-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.97
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
The IUPAC name of 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione (CID 4140786) is 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione is O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCO.
What is the InChIKey of 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
The InChIKey is ZRPAQGZLVSNGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4NO3/c11-5-3-4(6(12)8(14)7(5)13)10(18)15(1-2-16)9(3)17/h16H,1-2H2.
What are the key properties of 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione has a molecular weight of 328.97 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-2-(2-hydroxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 4140786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).