4-methyl-7-methylsulfinylchromen-2-one

C11H10O3S — CID 162642075

IUPAC4-methyl-7-methylsulfinylchromen-2-one
SMILESCc1cc(=O)oc2cc(S(C)=O)ccc12
InChIInChI=1S/C11H10O3S/c1-7-5-11(12)14-10-6-8(15(2)13)3-4-9(7)10/h3-6H,1-2H3
InChIKeyIFTHUDRVKVIXDN-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.84
Rot. Bonds1

About 4-methyl-7-methylsulfinylchromen-2-one

4-methyl-7-methylsulfinylchromen-2-one (PubChem CID 162642075) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-methyl-7-methylsulfinylchromen-2-one.

Molecular Properties

Compound Name4-methyl-7-methylsulfinylchromen-2-one
PubChem CID162642075
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name4-methyl-7-methylsulfinylchromen-2-one
SMILESCc1cc(=O)oc2cc(S(C)=O)ccc12
InChIInChI=1S/C11H10O3S/c1-7-5-11(12)14-10-6-8(15(2)13)3-4-9(7)10/h3-6H,1-2H3
InChIKeyIFTHUDRVKVIXDN-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 89064299
CID 89064299
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-ethyl-4-methylchromen-2-one
CID 5160585
4-methyl-7-nitrosochromen-2-one
CID 122373464
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-isocyano-4-methylchromen-2-one
CID 12971176
potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
CID 170902365
7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
CID 102278578
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
ethene-1,1,2,2-tetracarbonitrile;7-hydroxy-4-methylchromen-2-one
CID 18475292
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-methylsulfinylchromen-2-one?
The IUPAC name of 4-methyl-7-methylsulfinylchromen-2-one (CID 162642075) is 4-methyl-7-methylsulfinylchromen-2-one.
What is the SMILES notation for 4-methyl-7-methylsulfinylchromen-2-one?
The canonical SMILES for 4-methyl-7-methylsulfinylchromen-2-one is Cc1cc(=O)oc2cc(S(C)=O)ccc12.
What is the InChIKey of 4-methyl-7-methylsulfinylchromen-2-one?
The InChIKey is IFTHUDRVKVIXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-7-5-11(12)14-10-6-8(15(2)13)3-4-9(7)10/h3-6H,1-2H3.
What are the key properties of 4-methyl-7-methylsulfinylchromen-2-one?
4-methyl-7-methylsulfinylchromen-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-methylsulfinylchromen-2-one is sourced from PubChem (CID 162642075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).