1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol

C15H13BrClFOS — CID 103039620

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

About 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol

1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol (PubChem CID 103039620) has the molecular formula C15H13BrClFOS and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
PubChem CID103039620
Molecular FormulaC15H13BrClFOS
Molecular Weight375.69 g/mol
Exact Mass373.95
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
SMILESOC(CSc1ccc(Br)cc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13BrClFOS/c16-11-2-4-13(5-3-11)20-9-12(19)7-10-1-6-15(18)14(17)8-10/h1-6,8,12,19H,7,9H2
InChIKeyKYIWROXKJAHZLD-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-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
CID 66056866
[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 103043942
1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884277
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol (CID 103039620) is 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol is OC(CSc1ccc(Br)cc1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol?
The InChIKey is KYIWROXKJAHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFOS/c16-11-2-4-13(5-3-11)20-9-12(19)7-10-1-6-15(18)14(17)8-10/h1-6,8,12,19H,7,9H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol?
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-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-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 103039620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).