6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one

C13H12O4S — CID 122182004

IUPAC6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
SMILESCOc1ccc2oc(/C=C/S(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/b6-5+
InChIKeyOGHRWNHXJDCWDO-AATRIKPKSA-N
MW264.30 g/mol
LogP2.15
Rot. Bonds3

About 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one

6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one (PubChem CID 122182004) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
PubChem CID122182004
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
SMILESCOc1ccc2oc(/C=C/S(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/b6-5+
InChIKeyOGHRWNHXJDCWDO-AATRIKPKSA-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
The IUPAC name of 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one (CID 122182004) is 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one.
What is the SMILES notation for 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
The canonical SMILES for 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one is COc1ccc2oc(/C=C/S(C)=O)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
The InChIKey is OGHRWNHXJDCWDO-AATRIKPKSA-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/b6-5+.
What are the key properties of 6-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
6-methoxy-2-[(E)-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-[(E)-2-methylsulfinylethenyl]chromen-4-one is sourced from PubChem (CID 122182004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).