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

C15H9Cl2NO2 — CID 818224

IUPAC5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H9Cl2NO2/c1-8-2-4-9(5-3-8)18-14(19)10-6-12(16)13(17)7-11(10)15(18)20/h2-7H,1H3
InChIKeyYPILMSMFVUIXRQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.10
Rot. Bonds1

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

5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 818224) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID818224
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H9Cl2NO2/c1-8-2-4-9(5-3-8)18-14(19)10-6-12(16)13(17)7-11(10)15(18)20/h2-7H,1H3
InChIKeyYPILMSMFVUIXRQ-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-5,6-dichloroisoindole-1,3-dione
CID 2738103
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 691521
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
CID 683213
2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 64794337
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245
2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110581784
2-[4-[2,3-ditert-butyl-4-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769294
2-[4-(4-methylphenyl)sulfanylphenyl]isoindole-1,3-dione
CID 168518003

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione (CID 818224) is 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is YPILMSMFVUIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c1-8-2-4-9(5-3-8)18-14(19)10-6-12(16)13(17)7-11(10)15(18)20/h2-7H,1H3.
What are the key properties of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 306.15 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 818224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).