2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol

C12H15BrO2S — CID 117237266

IUPAC2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
SMILESOC(COc1ccccc1Br)C1CCSC1
InChIInChI=1S/C12H15BrO2S/c13-10-3-1-2-4-12(10)15-7-11(14)9-5-6-16-8-9/h1-4,9,11,14H,5-8H2
InChIKeyGZDNETOGOQNSEU-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol

2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol (PubChem CID 117237266) has the molecular formula C12H15BrO2S and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
PubChem CID117237266
Molecular FormulaC12H15BrO2S
Molecular Weight303.22 g/mol
Exact Mass302.00
IUPAC Name2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
SMILESOC(COc1ccccc1Br)C1CCSC1
InChIInChI=1S/C12H15BrO2S/c13-10-3-1-2-4-12(10)15-7-11(14)9-5-6-16-8-9/h1-4,9,11,14H,5-8H2
InChIKeyGZDNETOGOQNSEU-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol (CID 117237266) is 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol is OC(COc1ccccc1Br)C1CCSC1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol?
The InChIKey is GZDNETOGOQNSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2S/c13-10-3-1-2-4-12(10)15-7-11(14)9-5-6-16-8-9/h1-4,9,11,14H,5-8H2.
What are the key properties of 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol?
2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol has a molecular weight of 303.22 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 117237266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).