2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol

C13H17FO2S — CID 105373529

IUPAC2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESCc1ccc(F)cc1CC(O)C1CSCCO1
InChIInChI=1S/C13H17FO2S/c1-9-2-3-11(14)6-10(9)7-12(15)13-8-17-5-4-16-13/h2-3,6,12-13,15H,4-5,7-8H2,1H3
InChIKeyZFJNSVZZRORFMH-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol

2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol (PubChem CID 105373529) has the molecular formula C13H17FO2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
PubChem CID105373529
Molecular FormulaC13H17FO2S
Molecular Weight256.34 g/mol
Exact Mass256.09
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESCc1ccc(F)cc1CC(O)C1CSCCO1
InChIInChI=1S/C13H17FO2S/c1-9-2-3-11(14)6-10(9)7-12(15)13-8-17-5-4-16-13/h2-3,6,12-13,15H,4-5,7-8H2,1H3
InChIKeyZFJNSVZZRORFMH-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163
2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963416
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963285
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
N-[(4-fluoro-2-methylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 79963662
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
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol (CID 105373529) is 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol is Cc1ccc(F)cc1CC(O)C1CSCCO1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol?
The InChIKey is ZFJNSVZZRORFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2S/c1-9-2-3-11(14)6-10(9)7-12(15)13-8-17-5-4-16-13/h2-3,6,12-13,15H,4-5,7-8H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol?
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol has a molecular weight of 256.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol is sourced from PubChem (CID 105373529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).