(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol

C11H15FO2S — CID 104863655

IUPAC(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
SMILESCSCCOc1ccc([C@H](C)O)cc1F
InChIInChI=1S/C11H15FO2S/c1-8(13)9-3-4-11(10(12)7-9)14-5-6-15-2/h3-4,7-8,13H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyRFKLXFQIFHMOQC-QMMMGPOBSA-N
MW230.30 g/mol
LogP2.62
Rot. Bonds5

About (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol

(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol (PubChem CID 104863655) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
PubChem CID104863655
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
SMILESCSCCOc1ccc([C@H](C)O)cc1F
InChIInChI=1S/C11H15FO2S/c1-8(13)9-3-4-11(10(12)7-9)14-5-6-15-2/h3-4,7-8,13H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyRFKLXFQIFHMOQC-QMMMGPOBSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
(1R)-1-[3-chloro-4-(3-methylsulfanylpropoxy)phenyl]ethanol
CID 104863661
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol (CID 104863655) is (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol is CSCCOc1ccc([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol?
The InChIKey is RFKLXFQIFHMOQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FO2S/c1-8(13)9-3-4-11(10(12)7-9)14-5-6-15-2/h3-4,7-8,13H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol?
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol has a molecular weight of 230.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol is sourced from PubChem (CID 104863655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).