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

C12H15FO2S — CID 117237264

IUPAC2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
SMILESOC(COc1ccccc1F)C1CCSC1
InChIInChI=1S/C12H15FO2S/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
InChIKeyAZOQTYJNZUFOEG-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.32
Rot. Bonds4

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

2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol (PubChem CID 117237264) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
PubChem CID117237264
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
SMILESOC(COc1ccccc1F)C1CCSC1
InChIInChI=1S/C12H15FO2S/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
InChIKeyAZOQTYJNZUFOEG-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.32
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-bromophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237266
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,4-dithiane-2-carboxamide
CID 87004751
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
2-(2-fluoroanilino)-2-(thiolan-3-yl)ethanol
CID 107133387

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol (CID 117237264) is 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol is OC(COc1ccccc1F)C1CCSC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol?
The InChIKey is AZOQTYJNZUFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/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-fluorophenoxy)-1-(thiolan-3-yl)ethanol?
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol has a molecular weight of 242.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 117237264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).