2-benzylsulfinyl-1,1-diphenylethanol

C21H20O2S — CID 2765160

IUPAC2-benzylsulfinyl-1,1-diphenylethanol
SMILESO=S(Cc1ccccc1)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2S/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-24(23)16-18-10-4-1-5-11-18/h1-15,22H,16-17H2
InChIKeyYYBQGBXESZEJMS-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.87
Rot. Bonds6

About 2-benzylsulfinyl-1,1-diphenylethanol

2-benzylsulfinyl-1,1-diphenylethanol (PubChem CID 2765160) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-benzylsulfinyl-1,1-diphenylethanol.

Molecular Properties

Compound Name2-benzylsulfinyl-1,1-diphenylethanol
PubChem CID2765160
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name2-benzylsulfinyl-1,1-diphenylethanol
SMILESO=S(Cc1ccccc1)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2S/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-24(23)16-18-10-4-1-5-11-18/h1-15,22H,16-17H2
InChIKeyYYBQGBXESZEJMS-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-1,1-diphenylethanol?
The IUPAC name of 2-benzylsulfinyl-1,1-diphenylethanol (CID 2765160) is 2-benzylsulfinyl-1,1-diphenylethanol.
What is the SMILES notation for 2-benzylsulfinyl-1,1-diphenylethanol?
The canonical SMILES for 2-benzylsulfinyl-1,1-diphenylethanol is O=S(Cc1ccccc1)CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-1,1-diphenylethanol?
The InChIKey is YYBQGBXESZEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2S/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-24(23)16-18-10-4-1-5-11-18/h1-15,22H,16-17H2.
What are the key properties of 2-benzylsulfinyl-1,1-diphenylethanol?
2-benzylsulfinyl-1,1-diphenylethanol has a molecular weight of 336.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-1,1-diphenylethanol is sourced from PubChem (CID 2765160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).