2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol

C20H17BrOS — CID 2765149

IUPAC2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol
SMILESOC(CSc1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrOS/c21-18-11-13-19(14-12-18)23-15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2
InChIKeyUZARFOHRHVNQSJ-UHFFFAOYSA-N
MW385.33 g/mol
LogP5.48
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol

2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol (PubChem CID 2765149) has the molecular formula C20H17BrOS and a molecular weight of 385.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol
PubChem CID2765149
Molecular FormulaC20H17BrOS
Molecular Weight385.33 g/mol
Exact Mass384.02
IUPAC Name2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol
SMILESOC(CSc1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrOS/c21-18-11-13-19(14-12-18)23-15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2
InChIKeyUZARFOHRHVNQSJ-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.33
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol (CID 2765149) is 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol is OC(CSc1ccc(Br)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol?
The InChIKey is UZARFOHRHVNQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrOS/c21-18-11-13-19(14-12-18)23-15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol?
2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol has a molecular weight of 385.33 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1,1-diphenylethanol is sourced from PubChem (CID 2765149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).