7-hydroxy-3-methylsulfonylchromen-2-one

C10H8O5S — CID 19840686

IUPAC7-hydroxy-3-methylsulfonylchromen-2-one
SMILESCS(=O)(=O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C10H8O5S/c1-16(13,14)9-4-6-2-3-7(11)5-8(6)15-10(9)12/h2-5,11H,1H3
InChIKeyRMRKGYUEEHVTJG-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.90
Rot. Bonds1

About 7-hydroxy-3-methylsulfonylchromen-2-one

7-hydroxy-3-methylsulfonylchromen-2-one (PubChem CID 19840686) has the molecular formula C10H8O5S and a molecular weight of 240.24 g/mol. Its IUPAC name is 7-hydroxy-3-methylsulfonylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-methylsulfonylchromen-2-one
PubChem CID19840686
Molecular FormulaC10H8O5S
Molecular Weight240.24 g/mol
Exact Mass240.01
IUPAC Name7-hydroxy-3-methylsulfonylchromen-2-one
SMILESCS(=O)(=O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C10H8O5S/c1-16(13,14)9-4-6-2-3-7(11)5-8(6)15-10(9)12/h2-5,11H,1H3
InChIKeyRMRKGYUEEHVTJG-UHFFFAOYSA-N
XLogP0.90
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methylsulfonylchromen-2-one?
The IUPAC name of 7-hydroxy-3-methylsulfonylchromen-2-one (CID 19840686) is 7-hydroxy-3-methylsulfonylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-methylsulfonylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-methylsulfonylchromen-2-one is CS(=O)(=O)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3-methylsulfonylchromen-2-one?
The InChIKey is RMRKGYUEEHVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5S/c1-16(13,14)9-4-6-2-3-7(11)5-8(6)15-10(9)12/h2-5,11H,1H3.
What are the key properties of 7-hydroxy-3-methylsulfonylchromen-2-one?
7-hydroxy-3-methylsulfonylchromen-2-one has a molecular weight of 240.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methylsulfonylchromen-2-one is sourced from PubChem (CID 19840686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).