3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one

C24H25NO3 — CID 135467138

IUPAC3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(O)c(C3=c4ccccc4=NC3=O)c2c1
InChIInChI=1S/C24H25NO3/c1-23(2,3)13-11-15-19(18-14-9-7-8-10-17(14)25-21(18)26)22(27)28-20(15)16(12-13)24(4,5)6/h7-12,27H,1-6H3
InChIKeyGFXUHCYVTAMWAP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.09
Rot. Bonds1

About 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one

3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one (PubChem CID 135467138) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one.

Molecular Properties

Compound Name3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one
PubChem CID135467138
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(O)c(C3=c4ccccc4=NC3=O)c2c1
InChIInChI=1S/C24H25NO3/c1-23(2,3)13-11-15-19(18-14-9-7-8-10-17(14)25-21(18)26)22(27)28-20(15)16(12-13)24(4,5)6/h7-12,27H,1-6H3
InChIKeyGFXUHCYVTAMWAP-UHFFFAOYSA-N
XLogP4.09
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one?
The IUPAC name of 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one (CID 135467138) is 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one.
What is the SMILES notation for 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one?
The canonical SMILES for 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one is CC(C)(C)c1cc(C(C)(C)C)c2oc(O)c(C3=c4ccccc4=NC3=O)c2c1.
What is the InChIKey of 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one?
The InChIKey is GFXUHCYVTAMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-23(2,3)13-11-15-19(18-14-9-7-8-10-17(14)25-21(18)26)22(27)28-20(15)16(12-13)24(4,5)6/h7-12,27H,1-6H3.
What are the key properties of 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one?
3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one is sourced from PubChem (CID 135467138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).