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

C18H15Cl2NO4 — CID 9178215

IUPAC4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccccc2)c2c(Cl)ccc(Cl)c2C12OCCO2
InChIInChI=1S/C18H15Cl2NO4/c19-13-6-7-14(20)16-15(13)18(24-10-11-25-18)17(22)21(16)8-9-23-12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyZYQDMMGZKCYIEV-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.62
Rot. Bonds4

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

4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178215) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178215
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccccc2)c2c(Cl)ccc(Cl)c2C12OCCO2
InChIInChI=1S/C18H15Cl2NO4/c19-13-6-7-14(20)16-15(13)18(24-10-11-25-18)17(22)21(16)8-9-23-12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyZYQDMMGZKCYIEV-UHFFFAOYSA-N
XLogP3.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178215) is 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CCOc2ccccc2)c2c(Cl)ccc(Cl)c2C12OCCO2.
What is the InChIKey of 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is ZYQDMMGZKCYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c19-13-6-7-14(20)16-15(13)18(24-10-11-25-18)17(22)21(16)8-9-23-12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 380.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).