methyl 2-methylsulfinyl-2,2-diphenylacetate

C16H16O3S — CID 68803988

IUPACmethyl 2-methylsulfinyl-2,2-diphenylacetate
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)S(C)=O
InChIInChI=1S/C16H16O3S/c1-19-15(17)16(20(2)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyAJYXFARLSPHMHI-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.48
Rot. Bonds4

About methyl 2-methylsulfinyl-2,2-diphenylacetate

methyl 2-methylsulfinyl-2,2-diphenylacetate (PubChem CID 68803988) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is methyl 2-methylsulfinyl-2,2-diphenylacetate.

Molecular Properties

Compound Namemethyl 2-methylsulfinyl-2,2-diphenylacetate
PubChem CID68803988
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Namemethyl 2-methylsulfinyl-2,2-diphenylacetate
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)S(C)=O
InChIInChI=1S/C16H16O3S/c1-19-15(17)16(20(2)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyAJYXFARLSPHMHI-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
methyl (2S)-3-bromo-2-hydroxy-2-phenylpropanoate
CID 99866628
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
methyl 2-[(1-methoxy-2,4-dimethyl-1-oxo-4-phenylpentan-2-yl)diazenyl]-2,4-dimethyl-4-phenylpentanoate
CID 14899540
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfinyl-2,2-diphenylacetate?
The IUPAC name of methyl 2-methylsulfinyl-2,2-diphenylacetate (CID 68803988) is methyl 2-methylsulfinyl-2,2-diphenylacetate.
What is the SMILES notation for methyl 2-methylsulfinyl-2,2-diphenylacetate?
The canonical SMILES for methyl 2-methylsulfinyl-2,2-diphenylacetate is COC(=O)C(c1ccccc1)(c1ccccc1)S(C)=O.
What is the InChIKey of methyl 2-methylsulfinyl-2,2-diphenylacetate?
The InChIKey is AJYXFARLSPHMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-19-15(17)16(20(2)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of methyl 2-methylsulfinyl-2,2-diphenylacetate?
methyl 2-methylsulfinyl-2,2-diphenylacetate has a molecular weight of 288.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfinyl-2,2-diphenylacetate is sourced from PubChem (CID 68803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).