1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol

C14H12BrFOS — CID 79742279

IUPAC1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFOS/c15-10-6-7-13(16)12(8-10)14(17)9-18-11-4-2-1-3-5-11/h1-8,14,17H,9H2
InChIKeyBRDLIJOXXSBDKJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.41
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol

1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol (PubChem CID 79742279) has the molecular formula C14H12BrFOS and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
PubChem CID79742279
Molecular FormulaC14H12BrFOS
Molecular Weight327.22 g/mol
Exact Mass325.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFOS/c15-10-6-7-13(16)12(8-10)14(17)9-18-11-4-2-1-3-5-11/h1-8,14,17H,9H2
InChIKeyBRDLIJOXXSBDKJ-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

1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
CID 101079364
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
CID 81301682
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
CID 87630182
CID 87630182
1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol
CID 105113659
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol (CID 79742279) is 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol is OC(CSc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol?
The InChIKey is BRDLIJOXXSBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFOS/c15-10-6-7-13(16)12(8-10)14(17)9-18-11-4-2-1-3-5-11/h1-8,14,17H,9H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol?
1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol 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 1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 79742279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).