1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol

C16H17FO2S — CID 66051325

IUPAC1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
SMILESCCOc1ccccc1C(O)CSc1ccccc1F
InChIInChI=1S/C16H17FO2S/c1-2-19-15-9-5-3-7-12(15)14(18)11-20-16-10-6-4-8-13(16)17/h3-10,14,18H,2,11H2,1H3
InChIKeyKKLNQWBIPGEIHH-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.05
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol

1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol (PubChem CID 66051325) has the molecular formula C16H17FO2S and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
PubChem CID66051325
Molecular FormulaC16H17FO2S
Molecular Weight292.38 g/mol
Exact Mass292.09
IUPAC Name1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
SMILESCCOc1ccccc1C(O)CSc1ccccc1F
InChIInChI=1S/C16H17FO2S/c1-2-19-15-9-5-3-7-12(15)14(18)11-20-16-10-6-4-8-13(16)17/h3-10,14,18H,2,11H2,1H3
InChIKeyKKLNQWBIPGEIHH-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol 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

1-(2-ethoxyphenyl)-2-propylsulfanylethanol
CID 65129597
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66052290
2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 115833036
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol
CID 104659613
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 82823028
2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid
CID 63099095
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol (CID 66051325) is 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol is CCOc1ccccc1C(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The InChIKey is KKLNQWBIPGEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2S/c1-2-19-15-9-5-3-7-12(15)14(18)11-20-16-10-6-4-8-13(16)17/h3-10,14,18H,2,11H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol?
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol has a molecular weight of 292.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 66051325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).