2-(1,1-diphenylethylsulfinyl)acetic acid

C16H16O3S — CID 67461676

IUPAC2-(1,1-diphenylethylsulfinyl)acetic acid
SMILESCC(c1ccccc1)(c1ccccc1)S(=O)CC(=O)O
InChIInChI=1S/C16H16O3S/c1-16(20(19)12-15(17)18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18)
InChIKeyHEWSIQKODOPQPH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.78
Rot. Bonds5

About 2-(1,1-diphenylethylsulfinyl)acetic acid

2-(1,1-diphenylethylsulfinyl)acetic acid (PubChem CID 67461676) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(1,1-diphenylethylsulfinyl)acetic acid.

Molecular Properties

Compound Name2-(1,1-diphenylethylsulfinyl)acetic acid
PubChem CID67461676
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name2-(1,1-diphenylethylsulfinyl)acetic acid
SMILESCC(c1ccccc1)(c1ccccc1)S(=O)CC(=O)O
InChIInChI=1S/C16H16O3S/c1-16(20(19)12-15(17)18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18)
InChIKeyHEWSIQKODOPQPH-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenylpentan-3-one
CID 70793023
1-methylsulfinyl-2-phenylpropan-2-ol
CID 15013398
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
2-(tert-butylsulfinylmethyl)benzoic acid
CID 61302749
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
7-(6-carboxy-5-methyl-5-phenylhexyl)sulfinyl-3-methyl-3-phenylheptanoic acid
CID 18752548
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-[(R)-methylsulfinyl]propan-2-ylbenzene
CID 90451412
2-hydroxy-1-oxo-2,2-diphenylethanesulfinic acid
CID 174816975
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenylethylsulfinyl)acetic acid?
The IUPAC name of 2-(1,1-diphenylethylsulfinyl)acetic acid (CID 67461676) is 2-(1,1-diphenylethylsulfinyl)acetic acid.
What is the SMILES notation for 2-(1,1-diphenylethylsulfinyl)acetic acid?
The canonical SMILES for 2-(1,1-diphenylethylsulfinyl)acetic acid is CC(c1ccccc1)(c1ccccc1)S(=O)CC(=O)O.
What is the InChIKey of 2-(1,1-diphenylethylsulfinyl)acetic acid?
The InChIKey is HEWSIQKODOPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-16(20(19)12-15(17)18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18).
What are the key properties of 2-(1,1-diphenylethylsulfinyl)acetic acid?
2-(1,1-diphenylethylsulfinyl)acetic acid has a molecular weight of 288.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenylethylsulfinyl)acetic acid is sourced from PubChem (CID 67461676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).