2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol

C12H15BrO2S — CID 79963285

IUPAC2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1cccc(Br)c1)C1CSCCO1
InChIInChI=1S/C12H15BrO2S/c13-10-3-1-2-9(6-10)7-11(14)12-8-16-5-4-15-12/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeySNQAHSVGDLBDLZ-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.48
Rot. Bonds3

About 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol

2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol (PubChem CID 79963285) has the molecular formula C12H15BrO2S and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
PubChem CID79963285
Molecular FormulaC12H15BrO2S
Molecular Weight303.22 g/mol
Exact Mass302.00
IUPAC Name2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1cccc(Br)c1)C1CSCCO1
InChIInChI=1S/C12H15BrO2S/c13-10-3-1-2-9(6-10)7-11(14)12-8-16-5-4-15-12/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeySNQAHSVGDLBDLZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 113471227
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79962796
2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanone
CID 79962669
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
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
1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815
1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
CID 79963796
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3-bromo-4-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963811
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol (CID 79963285) is 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol is OC(Cc1cccc(Br)c1)C1CSCCO1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The InChIKey is SNQAHSVGDLBDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2S/c13-10-3-1-2-9(6-10)7-11(14)12-8-16-5-4-15-12/h1-3,6,11-12,14H,4-5,7-8H2.
What are the key properties of 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol?
2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol has a molecular weight of 303.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol is sourced from PubChem (CID 79963285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).