3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one

C20H23NO2 — CID 139255174

IUPAC3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(c2cc(C(C)(C)C)ccc2O)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-19(2,3)13-10-11-17(22)15(12-13)20(4)14-8-6-7-9-16(14)21(5)18(20)23/h6-12,22H,1-5H3
InChIKeyTXHNAMMZEDZOIO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.97
Rot. Bonds1

About 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one

3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one (PubChem CID 139255174) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one
PubChem CID139255174
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(c2cc(C(C)(C)C)ccc2O)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-19(2,3)13-10-11-17(22)15(12-13)20(4)14-8-6-7-9-16(14)21(5)18(20)23/h6-12,22H,1-5H3
InChIKeyTXHNAMMZEDZOIO-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one?
The IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one (CID 139255174) is 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one is CN1C(=O)C(C)(c2cc(C(C)(C)C)ccc2O)c2ccccc21.
What is the InChIKey of 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one?
The InChIKey is TXHNAMMZEDZOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-19(2,3)13-10-11-17(22)15(12-13)20(4)14-8-6-7-9-16(14)21(5)18(20)23/h6-12,22H,1-5H3.
What are the key properties of 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one?
3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-hydroxyphenyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 139255174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).