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

C11H15FO2S — CID 104863621

IUPAC(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
SMILESCSCCOc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C11H15FO2S/c1-8(13)10-4-3-9(12)7-11(10)14-5-6-15-2/h3-4,7-8,13H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyVCWZQDQHXKZICT-QMMMGPOBSA-N
MW230.30 g/mol
LogP2.62
Rot. Bonds5

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

(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol (PubChem CID 104863621) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
PubChem CID104863621
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
SMILESCSCCOc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C11H15FO2S/c1-8(13)10-4-3-9(12)7-11(10)14-5-6-15-2/h3-4,7-8,13H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyVCWZQDQHXKZICT-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

(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
CID 78932553
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-(4-fluoro-2-pent-3-ynoxyphenyl)ethanol
CID 104808272
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
CID 63365914

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol (CID 104863621) is (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol is CSCCOc1cc(F)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol?
The InChIKey is VCWZQDQHXKZICT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FO2S/c1-8(13)10-4-3-9(12)7-11(10)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-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol?
(1S)-1-[4-fluoro-2-(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-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol is sourced from PubChem (CID 104863621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).