5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione

C16H9Cl4NO3 — CID 18803804

IUPAC5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOc2cc(Cl)cc(Cl)c2)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H9Cl4NO3/c17-8-3-9(18)5-11(4-8)24-2-1-21-14-12(15(22)16(21)23)6-10(19)7-13(14)20/h3-7H,1-2H2
InChIKeyTXUGQXHEYCOFIG-UHFFFAOYSA-N
MW405.06 g/mol
LogP4.91
Rot. Bonds4

About 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione

5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione (PubChem CID 18803804) has the molecular formula C16H9Cl4NO3 and a molecular weight of 405.06 g/mol. Its IUPAC name is 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione
PubChem CID18803804
Molecular FormulaC16H9Cl4NO3
Molecular Weight405.06 g/mol
Exact Mass402.93
IUPAC Name5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOc2cc(Cl)cc(Cl)c2)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H9Cl4NO3/c17-8-3-9(18)5-11(4-8)24-2-1-21-14-12(15(22)16(21)23)6-10(19)7-13(14)20/h3-7H,1-2H2
InChIKeyTXUGQXHEYCOFIG-UHFFFAOYSA-N
XLogP4.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.06
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione?
The IUPAC name of 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione (CID 18803804) is 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione is O=C1C(=O)N(CCOc2cc(Cl)cc(Cl)c2)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione?
The InChIKey is TXUGQXHEYCOFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl4NO3/c17-8-3-9(18)5-11(4-8)24-2-1-21-14-12(15(22)16(21)23)6-10(19)7-13(14)20/h3-7H,1-2H2.
What are the key properties of 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione?
5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione has a molecular weight of 405.06 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 18803804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).