1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol

C15H13BrClFOS — CID 66145512

IUPAC1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrClFOS/c16-14-8-10(1-6-15(14)18)7-12(19)9-20-13-4-2-11(17)3-5-13/h1-6,8,12,19H,7,9H2
InChIKeyBDFDMGMCAAUEBJ-UHFFFAOYSA-N
MW375.69 g/mol
LogP4.94
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol

1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol (PubChem CID 66145512) has the molecular formula C15H13BrClFOS and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
PubChem CID66145512
Molecular FormulaC15H13BrClFOS
Molecular Weight375.69 g/mol
Exact Mass373.95
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrClFOS/c16-14-8-10(1-6-15(14)18)7-12(19)9-20-13-4-2-11(17)3-5-13/h1-6,8,12,19H,7,9H2
InChIKeyBDFDMGMCAAUEBJ-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
CID 66056866
1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884277
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 63901398
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol (CID 66145512) is 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol is OC(CSc1ccc(Cl)cc1)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The InChIKey is BDFDMGMCAAUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFOS/c16-14-8-10(1-6-15(14)18)7-12(19)9-20-13-4-2-11(17)3-5-13/h1-6,8,12,19H,7,9H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol has a molecular weight of 375.69 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66145512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).