(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol

C13H19FOS — CID 107762049

IUPAC(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
SMILESCC(C)C(C)Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C13H19FOS/c1-8(2)10(4)16-13-6-5-11(14)7-12(13)9(3)15/h5-10,15H,1-4H3/t9-,10?/m0/s1
InChIKeyNVNJFSRIDCSZBQ-RGURZIINSA-N
MW242.36 g/mol
LogP4.02
Rot. Bonds4

About (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol

(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol (PubChem CID 107762049) has the molecular formula C13H19FOS and a molecular weight of 242.36 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
PubChem CID107762049
Molecular FormulaC13H19FOS
Molecular Weight242.36 g/mol
Exact Mass242.11
IUPAC Name(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
SMILESCC(C)C(C)Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C13H19FOS/c1-8(2)10(4)16-13-6-5-11(14)7-12(13)9(3)15/h5-10,15H,1-4H3/t9-,10?/m0/s1
InChIKeyNVNJFSRIDCSZBQ-RGURZIINSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
5-fluoro-2-(3-methylbutan-2-ylsulfanyl)benzoic acid
CID 107757927
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
CID 107752002
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
CID 79026882
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
CID 79332166

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol (CID 107762049) is (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol is CC(C)C(C)Sc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is NVNJFSRIDCSZBQ-RGURZIINSA-N. The full InChI is InChI=1S/C13H19FOS/c1-8(2)10(4)16-13-6-5-11(14)7-12(13)9(3)15/h5-10,15H,1-4H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 242.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 107762049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).