(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol

C17H19FOS — CID 78952014

IUPAC(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
SMILESCC(C)c1ccc(Sc2cccc(F)c2[C@H](C)O)cc1
InChIInChI=1S/C17H19FOS/c1-11(2)13-7-9-14(10-8-13)20-16-6-4-5-15(18)17(16)12(3)19/h4-12,19H,1-3H3/t12-/m0/s1
InChIKeyXHIFLSJLAYAXFA-LBPRGKRZSA-N
MW290.40 g/mol
LogP5.15
Rot. Bonds4

About (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol

(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol (PubChem CID 78952014) has the molecular formula C17H19FOS and a molecular weight of 290.40 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
PubChem CID78952014
Molecular FormulaC17H19FOS
Molecular Weight290.40 g/mol
Exact Mass290.11
IUPAC Name(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
SMILESCC(C)c1ccc(Sc2cccc(F)c2[C@H](C)O)cc1
InChIInChI=1S/C17H19FOS/c1-11(2)13-7-9-14(10-8-13)20-16-6-4-5-15(18)17(16)12(3)19/h4-12,19H,1-3H3/t12-/m0/s1
InChIKeyXHIFLSJLAYAXFA-LBPRGKRZSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
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(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
1-(2,6-difluorophenyl)ethanol
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(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
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(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783372
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486
1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 63835947
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol (CID 78952014) is (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol is CC(C)c1ccc(Sc2cccc(F)c2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol?
The InChIKey is XHIFLSJLAYAXFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FOS/c1-11(2)13-7-9-14(10-8-13)20-16-6-4-5-15(18)17(16)12(3)19/h4-12,19H,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol?
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol has a molecular weight of 290.40 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78952014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).