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

C17H13Cl2NO5 — CID 53231891

IUPAC5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C17H13Cl2NO5/c1-23-13-4-8(5-14(24-2)15(13)25-3)20-16(21)9-6-11(18)12(19)7-10(9)17(20)22/h4-7H,1-3H3
InChIKeyDRRPERJPOWCAOA-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.82
Rot. Bonds4

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

5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione (PubChem CID 53231891) has the molecular formula C17H13Cl2NO5 and a molecular weight of 382.20 g/mol. Its IUPAC name is 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
PubChem CID53231891
Molecular FormulaC17H13Cl2NO5
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C17H13Cl2NO5/c1-23-13-4-8(5-14(24-2)15(13)25-3)20-16(21)9-6-11(18)12(19)7-10(9)17(20)22/h4-7H,1-3H3
InChIKeyDRRPERJPOWCAOA-UHFFFAOYSA-N
XLogP3.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione (CID 53231891) is 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione is COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1OC.
What is the InChIKey of 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
The InChIKey is DRRPERJPOWCAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO5/c1-23-13-4-8(5-14(24-2)15(13)25-3)20-16(21)9-6-11(18)12(19)7-10(9)17(20)22/h4-7H,1-3H3.
What are the key properties of 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione has a molecular weight of 382.20 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 53231891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).