5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione

C14H7Cl2NO3 — CID 691521

IUPAC5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C14H7Cl2NO3/c15-11-5-9-10(6-12(11)16)14(20)17(13(9)19)7-1-3-8(18)4-2-7/h1-6,18H
InChIKeyGXOQDSBFIKDKMF-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.50
Rot. Bonds1

About 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione

5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 691521) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
PubChem CID691521
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C14H7Cl2NO3/c15-11-5-9-10(6-12(11)16)14(20)17(13(9)19)7-1-3-8(18)4-2-7/h1-6,18H
InChIKeyGXOQDSBFIKDKMF-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione (CID 691521) is 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is GXOQDSBFIKDKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-11-5-9-10(6-12(11)16)14(20)17(13(9)19)7-1-3-8(18)4-2-7/h1-6,18H.
What are the key properties of 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione?
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 308.12 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 691521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).