2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol

C14H12BrFOS — CID 66160966

IUPAC2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
SMILESOC(CSc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H12BrFOS/c15-11-4-2-6-13(8-11)18-9-14(17)10-3-1-5-12(16)7-10/h1-8,14,17H,9H2
InChIKeyMMVIQTHZYAMNJW-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.41
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol

2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol (PubChem CID 66160966) has the molecular formula C14H12BrFOS and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
PubChem CID66160966
Molecular FormulaC14H12BrFOS
Molecular Weight327.22 g/mol
Exact Mass325.98
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
SMILESOC(CSc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H12BrFOS/c15-11-4-2-6-13(8-11)18-9-14(17)10-3-1-5-12(16)7-10/h1-8,14,17H,9H2
InChIKeyMMVIQTHZYAMNJW-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
CID 66160380
2-(3-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 66158616
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol
CID 141495071
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
CID 66159989

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol (CID 66160966) is 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol is OC(CSc1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol?
The InChIKey is MMVIQTHZYAMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFOS/c15-11-4-2-6-13(8-11)18-9-14(17)10-3-1-5-12(16)7-10/h1-8,14,17H,9H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol?
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol has a molecular weight of 327.22 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 66160966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).