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

C20H21NO4 — CID 9177909

IUPAC7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(OCCN2C(=O)C3(OCCO3)c3cccc(C)c32)cc1
InChIInChI=1S/C20H21NO4/c1-14-6-8-16(9-7-14)23-11-10-21-18-15(2)4-3-5-17(18)20(19(21)22)24-12-13-25-20/h3-9H,10-13H2,1-2H3
InChIKeyGJZKXPQYVZUHMJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.93
Rot. Bonds4

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

7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177909) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177909
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(OCCN2C(=O)C3(OCCO3)c3cccc(C)c32)cc1
InChIInChI=1S/C20H21NO4/c1-14-6-8-16(9-7-14)23-11-10-21-18-15(2)4-3-5-17(18)20(19(21)22)24-12-13-25-20/h3-9H,10-13H2,1-2H3
InChIKeyGJZKXPQYVZUHMJ-UHFFFAOYSA-N
XLogP2.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177909) is 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc(OCCN2C(=O)C3(OCCO3)c3cccc(C)c32)cc1.
What is the InChIKey of 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is GJZKXPQYVZUHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-6-8-16(9-7-14)23-11-10-21-18-15(2)4-3-5-17(18)20(19(21)22)24-12-13-25-20/h3-9H,10-13H2,1-2H3.
What are the key properties of 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 339.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).