4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran

C11H12O4S — CID 126729437

IUPAC4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran
SMILESCOCOc1cccc2oc(S(C)=O)cc12
InChIInChI=1S/C11H12O4S/c1-13-7-14-9-4-3-5-10-8(9)6-11(15-10)16(2)12/h3-6H,7H2,1-2H3
InChIKeySPZPIPUQRIWWKT-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.15
Rot. Bonds4

About 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran

4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran (PubChem CID 126729437) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran
PubChem CID126729437
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran
SMILESCOCOc1cccc2oc(S(C)=O)cc12
InChIInChI=1S/C11H12O4S/c1-13-7-14-9-4-3-5-10-8(9)6-11(15-10)16(2)12/h3-6H,7H2,1-2H3
InChIKeySPZPIPUQRIWWKT-UHFFFAOYSA-N
XLogP2.15
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran?
The IUPAC name of 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran (CID 126729437) is 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran.
What is the SMILES notation for 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran?
The canonical SMILES for 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran is COCOc1cccc2oc(S(C)=O)cc12.
What is the InChIKey of 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran?
The InChIKey is SPZPIPUQRIWWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c1-13-7-14-9-4-3-5-10-8(9)6-11(15-10)16(2)12/h3-6H,7H2,1-2H3.
What are the key properties of 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran?
4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran has a molecular weight of 240.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-methylsulfinyl-1-benzofuran is sourced from PubChem (CID 126729437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).