5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C22H24ClNO4 — CID 9178297

IUPAC5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1ccccc1Cl
InChIInChI=1S/C22H24ClNO4/c1-2-3-6-16-9-10-19-17(15-16)22(27-13-14-28-22)21(25)24(19)11-12-26-20-8-5-4-7-18(20)23/h4-5,7-10,15H,2-3,6,11-14H2,1H3
InChIKeyINPQQTDGGUMVEZ-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.31
Rot. Bonds7

About 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178297) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178297
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Name5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1ccccc1Cl
InChIInChI=1S/C22H24ClNO4/c1-2-3-6-16-9-10-19-17(15-16)22(27-13-14-28-22)21(25)24(19)11-12-26-20-8-5-4-7-18(20)23/h4-5,7-10,15H,2-3,6,11-14H2,1H3
InChIKeyINPQQTDGGUMVEZ-UHFFFAOYSA-N
XLogP4.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
5'-butyl-1'-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889796
5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178120
5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177856
1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261
4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889737
5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177740
1'-[(4-butoxy-3-methoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178106
5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177844
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177851

Frequently Asked Questions

What is the IUPAC name of 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178297) is 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is CCCCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCOc1ccccc1Cl.
What is the InChIKey of 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is INPQQTDGGUMVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-2-3-6-16-9-10-19-17(15-16)22(27-13-14-28-22)21(25)24(19)11-12-26-20-8-5-4-7-18(20)23/h4-5,7-10,15H,2-3,6,11-14H2,1H3.
What are the key properties of 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 401.89 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).