1-(2-hydroxyphenyl)-2-methylsulfinylethanone

C9H10O3S — CID 578088

IUPAC1-(2-hydroxyphenyl)-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)c1ccccc1O
InChIInChI=1S/C9H10O3S/c1-13(12)6-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3
InChIKeyFWLIEUDMZIYEAW-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-hydroxyphenyl)-2-methylsulfinylethanone

1-(2-hydroxyphenyl)-2-methylsulfinylethanone (PubChem CID 578088) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-methylsulfinylethanone
PubChem CID578088
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name1-(2-hydroxyphenyl)-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)c1ccccc1O
InChIInChI=1S/C9H10O3S/c1-13(12)6-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3
InChIKeyFWLIEUDMZIYEAW-UHFFFAOYSA-N
XLogP0.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-methylsulfinylethanone?
The IUPAC name of 1-(2-hydroxyphenyl)-2-methylsulfinylethanone (CID 578088) is 1-(2-hydroxyphenyl)-2-methylsulfinylethanone.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-methylsulfinylethanone?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-methylsulfinylethanone is CS(=O)CC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-methylsulfinylethanone?
The InChIKey is FWLIEUDMZIYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-13(12)6-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)-2-methylsulfinylethanone?
1-(2-hydroxyphenyl)-2-methylsulfinylethanone has a molecular weight of 198.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-methylsulfinylethanone is sourced from PubChem (CID 578088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).