methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate

C16H15FO3S — CID 115463232

IUPACmethyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CS(=O)c1ccccc1F
InChIInChI=1S/C16H15FO3S/c1-20-16(18)10-12-6-2-3-7-13(12)11-21(19)15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3
InChIKeyFWGXLJNFFXRUAF-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.85
Rot. Bonds5

About methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate

methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate (PubChem CID 115463232) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
PubChem CID115463232
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CS(=O)c1ccccc1F
InChIInChI=1S/C16H15FO3S/c1-20-16(18)10-12-6-2-3-7-13(12)11-21(19)15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3
InChIKeyFWGXLJNFFXRUAF-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61303739
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methyl 2-[2-(propylsulfinylmethyl)phenyl]acetate
CID 115463243
methyl 2-[2-[(3-bromophenyl)sulfinylmethyl]phenyl]acetate
CID 115463274
methyl 2-[2-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetate
CID 115460832
methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate
CID 113314708
methyl 2-[2-(2-methylpropylsulfinylmethyl)phenyl]acetate
CID 113314707
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene
CID 102862309
methyl 2-[2-(3-methoxypropylsulfinylmethyl)phenyl]acetate
CID 115463281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate (CID 115463232) is methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate is COC(=O)Cc1ccccc1CS(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate?
The InChIKey is FWGXLJNFFXRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-20-16(18)10-12-6-2-3-7-13(12)11-21(19)15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate?
methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate has a molecular weight of 306.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate is sourced from PubChem (CID 115463232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).