1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol

C15H15BrO2S — CID 82972730

IUPAC1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1ccc(Sc2ccc(Br)cc2C(C)O)cc1
InChIInChI=1S/C15H15BrO2S/c1-10(17)14-9-11(16)3-8-15(14)19-13-6-4-12(18-2)5-7-13/h3-10,17H,1-2H3
InChIKeyWRRDOGZEHXZVSX-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.66
Rot. Bonds4

About 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol

1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol (PubChem CID 82972730) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
PubChem CID82972730
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1ccc(Sc2ccc(Br)cc2C(C)O)cc1
InChIInChI=1S/C15H15BrO2S/c1-10(17)14-9-11(16)3-8-15(14)19-13-6-4-12(18-2)5-7-13/h3-10,17H,1-2H3
InChIKeyWRRDOGZEHXZVSX-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
CID 63812767
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
1-[5-bromo-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82973884
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
1-[5-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82972733
1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 107783479

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol (CID 82972730) is 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol is COc1ccc(Sc2ccc(Br)cc2C(C)O)cc1.
What is the InChIKey of 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
The InChIKey is WRRDOGZEHXZVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-10(17)14-9-11(16)3-8-15(14)19-13-6-4-12(18-2)5-7-13/h3-10,17H,1-2H3.
What are the key properties of 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol has a molecular weight of 339.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 82972730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).