1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol

C16H16BrFOS — CID 105373485

IUPAC1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1ccc(F)cc1CC(O)CSc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFOS/c1-11-2-5-14(18)8-12(11)9-15(19)10-20-16-6-3-13(17)4-7-16/h2-8,15,19H,9-10H2,1H3
InChIKeyJXSKGIPWAJQZHT-UHFFFAOYSA-N
MW355.27 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol

1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol (PubChem CID 105373485) has the molecular formula C16H16BrFOS and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
PubChem CID105373485
Molecular FormulaC16H16BrFOS
Molecular Weight355.27 g/mol
Exact Mass354.01
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1ccc(F)cc1CC(O)CSc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFOS/c1-11-2-5-14(18)8-12(11)9-15(19)10-20-16-6-3-13(17)4-7-16/h2-8,15,19H,9-10H2,1H3
InChIKeyJXSKGIPWAJQZHT-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
1-tert-butylsulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373461
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 66054897
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol (CID 105373485) is 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol is Cc1ccc(F)cc1CC(O)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol?
The InChIKey is JXSKGIPWAJQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFOS/c1-11-2-5-14(18)8-12(11)9-15(19)10-20-16-6-3-13(17)4-7-16/h2-8,15,19H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol?
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol has a molecular weight of 355.27 g/mol, XLogP of 4.59, 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-(5-fluoro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 105373485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).