5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C23H27NO4 — CID 9177851

IUPAC5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(C(C)C)c(OCCN2C(=O)C3(OCCO3)c3cc(C)ccc32)c1
InChIInChI=1S/C23H27NO4/c1-15(2)18-7-5-17(4)14-21(18)26-10-9-24-20-8-6-16(3)13-19(20)23(22(24)25)27-11-12-28-23/h5-8,13-15H,9-12H2,1-4H3
InChIKeyUKFBZTOXLMBUKN-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.05
Rot. Bonds5

About 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177851) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177851
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(C(C)C)c(OCCN2C(=O)C3(OCCO3)c3cc(C)ccc32)c1
InChIInChI=1S/C23H27NO4/c1-15(2)18-7-5-17(4)14-21(18)26-10-9-24-20-8-6-16(3)13-19(20)23(22(24)25)27-11-12-28-23/h5-8,13-15H,9-12H2,1-4H3
InChIKeyUKFBZTOXLMBUKN-UHFFFAOYSA-N
XLogP4.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177851) is 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc(C(C)C)c(OCCN2C(=O)C3(OCCO3)c3cc(C)ccc32)c1.
What is the InChIKey of 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is UKFBZTOXLMBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15(2)18-7-5-17(4)14-21(18)26-10-9-24-20-8-6-16(3)13-19(20)23(22(24)25)27-11-12-28-23/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 381.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).