2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C15H12BrF3OS — CID 63895311

IUPAC2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOC(Cc1cccc(Br)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3OS/c16-12-3-1-2-10(8-12)9-14(20)11-4-6-13(7-5-11)21-15(17,18)19/h1-8,14,20H,9H2
InChIKeyJWLXPTXJSJRAMJ-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.34
Rot. Bonds4

About 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 63895311) has the molecular formula C15H12BrF3OS and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID63895311
Molecular FormulaC15H12BrF3OS
Molecular Weight377.23 g/mol
Exact Mass375.97
IUPAC Name2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOC(Cc1cccc(Br)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3OS/c16-12-3-1-2-10(8-12)9-14(20)11-4-6-13(7-5-11)21-15(17,18)19/h1-8,14,20H,9H2
InChIKeyJWLXPTXJSJRAMJ-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848125
1-[(3-bromophenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 3775180
1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 62395244
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 65148012
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 63895311) is 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is OC(Cc1cccc(Br)c1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is JWLXPTXJSJRAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3OS/c16-12-3-1-2-10(8-12)9-14(20)11-4-6-13(7-5-11)21-15(17,18)19/h1-8,14,20H,9H2.
What are the key properties of 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 377.23 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63895311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).