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

C16H16BrFOS — CID 106881082

IUPAC2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CSc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C16H16BrFOS/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
InChIKeyIVMIIGKRESSNFQ-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.03
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol (PubChem CID 106881082) has the molecular formula C16H16BrFOS and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
PubChem CID106881082
Molecular FormulaC16H16BrFOS
Molecular Weight355.27 g/mol
Exact Mass354.01
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CSc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C16H16BrFOS/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
InChIKeyIVMIIGKRESSNFQ-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881089
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115374163
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
CID 106680203
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485
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-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol (CID 106881082) is 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol is Cc1cc(C)c(C(O)CSc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The InChIKey is IVMIIGKRESSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFOS/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-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol has a molecular weight of 355.27 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106881082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).