2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol

C16H16ClFOS — CID 106881089

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CSc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H16ClFOS/c1-10-7-11(2)16(14(18)8-10)15(19)9-20-13-5-3-12(17)4-6-13/h3-8,15,19H,9H2,1-2H3
InChIKeyABLJPEPGEIEUCB-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.92
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol

2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol (PubChem CID 106881089) has the molecular formula C16H16ClFOS and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
PubChem CID106881089
Molecular FormulaC16H16ClFOS
Molecular Weight310.82 g/mol
Exact Mass310.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CSc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H16ClFOS/c1-10-7-11(2)16(14(18)8-10)15(19)9-20-13-5-3-12(17)4-6-13/h3-8,15,19H,9H2,1-2H3
InChIKeyABLJPEPGEIEUCB-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881082
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271619
2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106884046
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
CID 106680203
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 106881610
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol (CID 106881089) is 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol is Cc1cc(C)c(C(O)CSc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The InChIKey is ABLJPEPGEIEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFOS/c1-10-7-11(2)16(14(18)8-10)15(19)9-20-13-5-3-12(17)4-6-13/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol has a molecular weight of 310.82 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106881089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).