5-methylsulfonyl-2,3-dihydro-1-benzofuran

C9H10O3S — CID 59412097

IUPAC5-methylsulfonyl-2,3-dihydro-1-benzofuran
SMILESCS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H10O3S/c1-13(10,11)8-2-3-9-7(6-8)4-5-12-9/h2-3,6H,4-5H2,1H3
InChIKeyMXQUEJBFYKDCAE-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.02
Rot. Bonds1

About 5-methylsulfonyl-2,3-dihydro-1-benzofuran

5-methylsulfonyl-2,3-dihydro-1-benzofuran (PubChem CID 59412097) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-methylsulfonyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methylsulfonyl-2,3-dihydro-1-benzofuran
PubChem CID59412097
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name5-methylsulfonyl-2,3-dihydro-1-benzofuran
SMILESCS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H10O3S/c1-13(10,11)8-2-3-9-7(6-8)4-5-12-9/h2-3,6H,4-5H2,1H3
InChIKeyMXQUEJBFYKDCAE-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-methylsulfonyl-2,3-dihydro-1-benzofuran (CID 59412097) is 5-methylsulfonyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-methylsulfonyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-methylsulfonyl-2,3-dihydro-1-benzofuran is CS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-methylsulfonyl-2,3-dihydro-1-benzofuran?
The InChIKey is MXQUEJBFYKDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-13(10,11)8-2-3-9-7(6-8)4-5-12-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-methylsulfonyl-2,3-dihydro-1-benzofuran?
5-methylsulfonyl-2,3-dihydro-1-benzofuran has a molecular weight of 198.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 59412097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).