5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran

C15H22O3S — CID 69097885

IUPAC5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran
SMILESCCS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C15H22O3S/c1-7-19(16,17)14-10(3)9(2)13-12(11(14)4)8-15(5,6)18-13/h7-8H2,1-6H3
InChIKeyYMGFGQSNXWSXOO-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.12
Rot. Bonds2

About 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran

5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran (PubChem CID 69097885) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran.

Molecular Properties

Compound Name5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran
PubChem CID69097885
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran
SMILESCCS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C15H22O3S/c1-7-19(16,17)14-10(3)9(2)13-12(11(14)4)8-15(5,6)18-13/h7-8H2,1-6H3
InChIKeyYMGFGQSNXWSXOO-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran?
The IUPAC name of 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran (CID 69097885) is 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran.
What is the SMILES notation for 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran?
The canonical SMILES for 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran is CCS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran?
The InChIKey is YMGFGQSNXWSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-7-19(16,17)14-10(3)9(2)13-12(11(14)4)8-15(5,6)18-13/h7-8H2,1-6H3.
What are the key properties of 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran?
5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran has a molecular weight of 282.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran is sourced from PubChem (CID 69097885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).