4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H15Cl4NO4 — CID 18889748

About 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 18889748) has the molecular formula C19H15Cl4NO4 and a molecular weight of 463.14 g/mol. Its IUPAC name is 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
• PubChem CID: 18889748
• Molecular Formula: C19H15Cl4NO4
• Molecular Weight: 463.14 g/mol
• Exact Mass: 460.98
• IUPAC Name: 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
• SMILES: O=C1N(CCCOc2ccc(Cl)cc2Cl)c2c(Cl)ccc(Cl)c2C12OCCO2
• InChI: InChI=1S/C19H15Cl4NO4/c20-11-2-5-15(14(23)10-11)26-7-1-6-24-17-13(22)4-3-12(21)16(17)19(18(24)25)27-8-9-28-19/h2-5,10H,1,6-9H2
• InChIKey: YKGOFORGPICPHC-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.14
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?

The IUPAC name of 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 18889748) is 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

What is the SMILES notation for 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?

The canonical SMILES for 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CCCOc2ccc(Cl)cc2Cl)c2c(Cl)ccc(Cl)c2C12OCCO2.

What is the InChIKey of 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?

The InChIKey is YKGOFORGPICPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl4NO4/c20-11-2-5-15(14(23)10-11)26-7-1-6-24-17-13(22)4-3-12(21)16(17)19(18(24)25)27-8-9-28-19/h2-5,10H,1,6-9H2.

What are the key properties of 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?

4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 463.14 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).