propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate

C14H15FO4S — CID 91300261

IUPACpropan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate
SMILESCC(C)OC(=O)Cc1oc2ccc(F)cc2c1S(C)=O
InChIInChI=1S/C14H15FO4S/c1-8(2)18-13(16)7-12-14(20(3)17)10-6-9(15)4-5-11(10)19-12/h4-6,8H,7H2,1-3H3
InChIKeyMOZDCHMGSYLBOJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.80
Rot. Bonds4

About propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate

propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate (PubChem CID 91300261) has the molecular formula C14H15FO4S and a molecular weight of 298.34 g/mol. Its IUPAC name is propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate
PubChem CID91300261
Molecular FormulaC14H15FO4S
Molecular Weight298.34 g/mol
Exact Mass298.07
IUPAC Namepropan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate
SMILESCC(C)OC(=O)Cc1oc2ccc(F)cc2c1S(C)=O
InChIInChI=1S/C14H15FO4S/c1-8(2)18-13(16)7-12-14(20(3)17)10-6-9(15)4-5-11(10)19-12/h4-6,8H,7H2,1-3H3
InChIKeyMOZDCHMGSYLBOJ-UHFFFAOYSA-N
XLogP2.80
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate 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 propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate (CID 91300261) is propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate is CC(C)OC(=O)Cc1oc2ccc(F)cc2c1S(C)=O.
What is the InChIKey of propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate?
The InChIKey is MOZDCHMGSYLBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO4S/c1-8(2)18-13(16)7-12-14(20(3)17)10-6-9(15)4-5-11(10)19-12/h4-6,8H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate?
propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate has a molecular weight of 298.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate is sourced from PubChem (CID 91300261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).