6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one

C13H12O4S — CID 162819321

IUPAC6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one
SMILESCOc1ccc2oc(C=CS(C)=O)cc(=O)c2c1
InChIInChI=1S/C13H12O4S/c1-16-9-3-4-13-11(7-9)12(14)8-10(17-13)5-6-18(2)15/h3-8H,1-2H3
InChIKeyOGHRWNHXJDCWDO-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.15
Rot. Bonds3

About 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one

6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one (PubChem CID 162819321) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one
PubChem CID162819321
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one
SMILESCOc1ccc2oc(C=CS(C)=O)cc(=O)c2c1
InChIInChI=1S/C13H12O4S/c1-16-9-3-4-13-11(7-9)12(14)8-10(17-13)5-6-18(2)15/h3-8H,1-2H3
InChIKeyOGHRWNHXJDCWDO-UHFFFAOYSA-N
XLogP2.15
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
CID 122182004
[2-[(E)-2-methylsulfinylethenyl]-4-oxochromen-6-yl] acetate
CID 164611357
[2-[(E)-2-methylsulfinylethenyl]-4-oxochromen-6-yl] 2,2-dimethylpropanoate
CID 164622028
2-[(E)-2-methylsulfinylethenyl]-4-oxochromene-6-carbonitrile
CID 164617132
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
CID 139215507
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one?
The IUPAC name of 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one (CID 162819321) is 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one.
What is the SMILES notation for 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one?
The canonical SMILES for 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one is COc1ccc2oc(C=CS(C)=O)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one?
The InChIKey is OGHRWNHXJDCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-16-9-3-4-13-11(7-9)12(14)8-10(17-13)5-6-18(2)15/h3-8H,1-2H3.
What are the key properties of 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one?
6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one has a molecular weight of 264.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methylsulfinylethenyl)chromen-4-one is sourced from PubChem (CID 162819321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).