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

C13H12O4S — CID 122182005

IUPAC7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
SMILESCOc1ccc2c(=O)cc(/C=C/S(C)=O)oc2c1
InChIInChI=1S/C13H12O4S/c1-16-9-3-4-11-12(14)7-10(5-6-18(2)15)17-13(11)8-9/h3-8H,1-2H3/b6-5+
InChIKeyMDGSBNGAUUYHCD-AATRIKPKSA-N
MW264.30 g/mol
LogP2.15
Rot. Bonds3

About 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one

7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one (PubChem CID 122182005) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
PubChem CID122182005
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one
SMILESCOc1ccc2c(=O)cc(/C=C/S(C)=O)oc2c1
InChIInChI=1S/C13H12O4S/c1-16-9-3-4-11-12(14)7-10(5-6-18(2)15)17-13(11)8-9/h3-8H,1-2H3/b6-5+
InChIKeyMDGSBNGAUUYHCD-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

Analyze 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
The IUPAC name of 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one (CID 122182005) is 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one.
What is the SMILES notation for 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
The canonical SMILES for 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one is COc1ccc2c(=O)cc(/C=C/S(C)=O)oc2c1.
What is the InChIKey of 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
The InChIKey is MDGSBNGAUUYHCD-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12O4S/c1-16-9-3-4-11-12(14)7-10(5-6-18(2)15)17-13(11)8-9/h3-8H,1-2H3/b6-5+.
What are the key properties of 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one?
7-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 7-methoxy-2-[(E)-2-methylsulfinylethenyl]chromen-4-one is sourced from PubChem (CID 122182005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).