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

C18H14Cl3NO4 — CID 18889737

IUPAC4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccccc2Cl)c2c(Cl)ccc(Cl)c2C12OCCO2
InChIInChI=1S/C18H14Cl3NO4/c19-11-3-1-2-4-14(11)24-8-7-22-16-13(21)6-5-12(20)15(16)18(17(22)23)25-9-10-26-18/h1-6H,7-10H2
InChIKeyNDSOIZCUYGHPLA-UHFFFAOYSA-N
MW414.67 g/mol
LogP4.27
Rot. Bonds4

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

4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 18889737) has the molecular formula C18H14Cl3NO4 and a molecular weight of 414.67 g/mol. Its IUPAC name is 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID18889737
Molecular FormulaC18H14Cl3NO4
Molecular Weight414.67 g/mol
Exact Mass413.00
IUPAC Name4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccccc2Cl)c2c(Cl)ccc(Cl)c2C12OCCO2
InChIInChI=1S/C18H14Cl3NO4/c19-11-3-1-2-4-14(11)24-8-7-22-16-13(21)6-5-12(20)15(16)18(17(22)23)25-9-10-26-18/h1-6H,7-10H2
InChIKeyNDSOIZCUYGHPLA-UHFFFAOYSA-N
XLogP4.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178215
4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889748
4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178218
5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178207
5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178297
1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178173
4',7'-dichloro-1'-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889732
5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178120
7'-chloro-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178183
4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177487
7'-chloro-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889714

Frequently Asked Questions

What is the IUPAC name of 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 18889737) is 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CCOc2ccccc2Cl)c2c(Cl)ccc(Cl)c2C12OCCO2.
What is the InChIKey of 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is NDSOIZCUYGHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3NO4/c19-11-3-1-2-4-14(11)24-8-7-22-16-13(21)6-5-12(20)15(16)18(17(22)23)25-9-10-26-18/h1-6H,7-10H2.
What are the key properties of 4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 414.67 g/mol, XLogP of 4.27, 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-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).