2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol

C21H19ClO2S — CID 2765169

IUPAC2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol
SMILESO=S(Cc1ccc(Cl)cc1)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19ClO2S/c22-20-13-11-17(12-14-20)15-25(24)16-21(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2
InChIKeyCYSLJWHMRDKNBJ-UHFFFAOYSA-N
MW370.90 g/mol
LogP4.52
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol

2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol (PubChem CID 2765169) has the molecular formula C21H19ClO2S and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol
PubChem CID2765169
Molecular FormulaC21H19ClO2S
Molecular Weight370.90 g/mol
Exact Mass370.08
IUPAC Name2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol
SMILESO=S(Cc1ccc(Cl)cc1)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19ClO2S/c22-20-13-11-17(12-14-20)15-25(24)16-21(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2
InChIKeyCYSLJWHMRDKNBJ-UHFFFAOYSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol (CID 2765169) is 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol is O=S(Cc1ccc(Cl)cc1)CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol?
The InChIKey is CYSLJWHMRDKNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO2S/c22-20-13-11-17(12-14-20)15-25(24)16-21(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol?
2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol has a molecular weight of 370.90 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfinyl]-1,1-diphenylethanol is sourced from PubChem (CID 2765169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).