5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C21H23NO4 — CID 6457027

IUPAC5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cccc(OCCN2C(=O)C3(OCCCO3)c3cc(C)ccc32)c1
InChIInChI=1S/C21H23NO4/c1-15-5-3-6-17(13-15)24-12-9-22-19-8-7-16(2)14-18(19)21(20(22)23)25-10-4-11-26-21/h3,5-8,13-14H,4,9-12H2,1-2H3
InChIKeyRYJHYGVJKXKTGP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.32
Rot. Bonds4

About 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 6457027) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID6457027
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cccc(OCCN2C(=O)C3(OCCCO3)c3cc(C)ccc32)c1
InChIInChI=1S/C21H23NO4/c1-15-5-3-6-17(13-15)24-12-9-22-19-8-7-16(2)14-18(19)21(20(22)23)25-10-4-11-26-21/h3,5-8,13-14H,4,9-12H2,1-2H3
InChIKeyRYJHYGVJKXKTGP-UHFFFAOYSA-N
XLogP3.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177844
1'-[3-(3-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177799
5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177856
1'-[3-(4-methoxyphenoxy)propyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177863
5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177851
1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889419
1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177608
5'-chloro-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178126
4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177487
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177909
1'-[(4-hexoxyphenyl)methyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177837

Frequently Asked Questions

What is the IUPAC name of 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 6457027) is 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1cccc(OCCN2C(=O)C3(OCCCO3)c3cc(C)ccc32)c1.
What is the InChIKey of 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is RYJHYGVJKXKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15-5-3-6-17(13-15)24-12-9-22-19-8-7-16(2)14-18(19)21(20(22)23)25-10-4-11-26-21/h3,5-8,13-14H,4,9-12H2,1-2H3.
What are the key properties of 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 353.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 6457027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).