5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C18H16ClNO4 — CID 9150224

IUPAC5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccccc2)c2ccc(Cl)cc2C12OCCO2
InChIInChI=1S/C18H16ClNO4/c19-13-6-7-16-15(12-13)18(23-10-11-24-18)17(21)20(16)8-9-22-14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyRVUCUTOMIDKKJH-UHFFFAOYSA-N
MW345.78 g/mol
LogP2.97
Rot. Bonds4

About 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9150224) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9150224
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccccc2)c2ccc(Cl)cc2C12OCCO2
InChIInChI=1S/C18H16ClNO4/c19-13-6-7-16-15(12-13)18(23-10-11-24-18)17(21)20(16)8-9-22-14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyRVUCUTOMIDKKJH-UHFFFAOYSA-N
XLogP2.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9150224) is 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CCOc2ccccc2)c2ccc(Cl)cc2C12OCCO2.
What is the InChIKey of 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is RVUCUTOMIDKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c19-13-6-7-16-15(12-13)18(23-10-11-24-18)17(21)20(16)8-9-22-14-4-2-1-3-5-14/h1-7,12H,8-11H2.
What are the key properties of 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 345.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9150224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).