2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol

C12H14BrClO2S — CID 113471227

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)C1CSCCO1
InChIInChI=1S/C12H14BrClO2S/c13-9-2-1-8(10(14)6-9)5-11(15)12-7-17-4-3-16-12/h1-2,6,11-12,15H,3-5,7H2
InChIKeyBTFDFMROBXICPU-UHFFFAOYSA-N
MW337.67 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol

2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol (PubChem CID 113471227) has the molecular formula C12H14BrClO2S and a molecular weight of 337.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
PubChem CID113471227
Molecular FormulaC12H14BrClO2S
Molecular Weight337.67 g/mol
Exact Mass335.96
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)C1CSCCO1
InChIInChI=1S/C12H14BrClO2S/c13-9-2-1-8(10(14)6-9)5-11(15)12-7-17-4-3-16-12/h1-2,6,11-12,15H,3-5,7H2
InChIKeyBTFDFMROBXICPU-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963285
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962732
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529
1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol
CID 164654930
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79962796
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
CID 79963796
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
CID 105394546
2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963427
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105126709

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol (CID 113471227) is 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol is OC(Cc1ccc(Br)cc1Cl)C1CSCCO1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The InChIKey is BTFDFMROBXICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO2S/c13-9-2-1-8(10(14)6-9)5-11(15)12-7-17-4-3-16-12/h1-2,6,11-12,15H,3-5,7H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol has a molecular weight of 337.67 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol is sourced from PubChem (CID 113471227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).