2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol

C15H14ClFOS — CID 66148548

IUPAC2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)CSc1cccc(Cl)c1
InChIInChI=1S/C15H14ClFOS/c1-10-5-6-12(17)8-14(10)15(18)9-19-13-4-2-3-11(16)7-13/h2-8,15,18H,9H2,1H3
InChIKeyZZBYZESTUPAFQF-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol

2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 66148548) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID66148548
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)CSc1cccc(Cl)c1
InChIInChI=1S/C15H14ClFOS/c1-10-5-6-12(17)8-14(10)15(18)9-19-13-4-2-3-11(16)7-13/h2-8,15,18H,9H2,1H3
InChIKeyZZBYZESTUPAFQF-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)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-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol (CID 66148548) is 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1C(O)CSc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is ZZBYZESTUPAFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFOS/c1-10-5-6-12(17)8-14(10)15(18)9-19-13-4-2-3-11(16)7-13/h2-8,15,18H,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol?
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 296.79 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 66148548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).