2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol

C12H11BrO2S — CID 60751924

IUPAC2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol
SMILESOC(CSc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C12H11BrO2S/c13-9-3-5-10(6-4-9)16-8-11(14)12-2-1-7-15-12/h1-7,11,14H,8H2
InChIKeyXSMZAPKCYHMAOY-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol

2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol (PubChem CID 60751924) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol
PubChem CID60751924
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol
SMILESOC(CSc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C12H11BrO2S/c13-9-3-5-10(6-4-9)16-8-11(14)12-2-1-7-15-12/h1-7,11,14H,8H2
InChIKeyXSMZAPKCYHMAOY-UHFFFAOYSA-N
XLogP3.87
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol (CID 60751924) is 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol is OC(CSc1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol?
The InChIKey is XSMZAPKCYHMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2S/c13-9-3-5-10(6-4-9)16-8-11(14)12-2-1-7-15-12/h1-7,11,14H,8H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol has a molecular weight of 299.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(furan-2-yl)ethanol is sourced from PubChem (CID 60751924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).