2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate

C19H21FO4S — CID 21496259

IUPAC2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate
SMILESCOCCOC(=O)CS(=O)C(C)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H21FO4S/c1-14(25(22)13-19(21)24-12-11-23-2)15-7-9-16(10-8-15)17-5-3-4-6-18(17)20/h3-10,14H,11-13H2,1-2H3
InChIKeyISPMMEUROHFRQD-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.49
Rot. Bonds8

About 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate

2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate (PubChem CID 21496259) has the molecular formula C19H21FO4S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate
PubChem CID21496259
Molecular FormulaC19H21FO4S
Molecular Weight364.44 g/mol
Exact Mass364.11
IUPAC Name2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate
SMILESCOCCOC(=O)CS(=O)C(C)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H21FO4S/c1-14(25(22)13-19(21)24-12-11-23-2)15-7-9-16(10-8-15)17-5-3-4-6-18(17)20/h3-10,14H,11-13H2,1-2H3
InChIKeyISPMMEUROHFRQD-UHFFFAOYSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate?
The IUPAC name of 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate (CID 21496259) is 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate?
The canonical SMILES for 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate is COCCOC(=O)CS(=O)C(C)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate?
The InChIKey is ISPMMEUROHFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO4S/c1-14(25(22)13-19(21)24-12-11-23-2)15-7-9-16(10-8-15)17-5-3-4-6-18(17)20/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate?
2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate has a molecular weight of 364.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]acetate is sourced from PubChem (CID 21496259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).