3-methylsulfonylchromen-2-one

C10H8O4S — CID 2820795

IUPAC3-methylsulfonylchromen-2-one
SMILESCS(=O)(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C10H8O4S/c1-15(12,13)9-6-7-4-2-3-5-8(7)14-10(9)11/h2-6H,1H3
InChIKeyJFFGMXVRZVMCDN-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.20
Rot. Bonds1

About 3-methylsulfonylchromen-2-one

3-methylsulfonylchromen-2-one (PubChem CID 2820795) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-methylsulfonylchromen-2-one.

Molecular Properties

Compound Name3-methylsulfonylchromen-2-one
PubChem CID2820795
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name3-methylsulfonylchromen-2-one
SMILESCS(=O)(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C10H8O4S/c1-15(12,13)9-6-7-4-2-3-5-8(7)14-10(9)11/h2-6H,1H3
InChIKeyJFFGMXVRZVMCDN-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylchromen-2-one?
The IUPAC name of 3-methylsulfonylchromen-2-one (CID 2820795) is 3-methylsulfonylchromen-2-one.
What is the SMILES notation for 3-methylsulfonylchromen-2-one?
The canonical SMILES for 3-methylsulfonylchromen-2-one is CS(=O)(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-methylsulfonylchromen-2-one?
The InChIKey is JFFGMXVRZVMCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c1-15(12,13)9-6-7-4-2-3-5-8(7)14-10(9)11/h2-6H,1H3.
What are the key properties of 3-methylsulfonylchromen-2-one?
3-methylsulfonylchromen-2-one has a molecular weight of 224.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylchromen-2-one is sourced from PubChem (CID 2820795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).