3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol

C11H15FO2S — CID 79026882

IUPAC3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
SMILESC[C@@H](O)c1cc(F)ccc1SCCCO
InChIInChI=1S/C11H15FO2S/c1-8(14)10-7-9(12)3-4-11(10)15-6-2-5-13/h3-4,7-8,13-14H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyZNYTZUZOSDRAHR-MRVPVSSYSA-N
MW230.30 g/mol
LogP2.35
Rot. Bonds5

About 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol

3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol (PubChem CID 79026882) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
PubChem CID79026882
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
SMILESC[C@@H](O)c1cc(F)ccc1SCCCO
InChIInChI=1S/C11H15FO2S/c1-8(14)10-7-9(12)3-4-11(10)15-6-2-5-13/h3-4,7-8,13-14H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyZNYTZUZOSDRAHR-MRVPVSSYSA-N
XLogP2.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanylpropane-1,2-diol
CID 79682177
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
3-[4-fluoro-2-(propylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66128560
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
3-[4-fluoro-2-(1-hydroxyethyl)-N-propan-2-ylanilino]propan-1-ol
CID 54994679

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol?
The IUPAC name of 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol (CID 79026882) is 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol is C[C@@H](O)c1cc(F)ccc1SCCCO.
What is the InChIKey of 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol?
The InChIKey is ZNYTZUZOSDRAHR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15FO2S/c1-8(14)10-7-9(12)3-4-11(10)15-6-2-5-13/h3-4,7-8,13-14H,2,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol?
3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol has a molecular weight of 230.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol is sourced from PubChem (CID 79026882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).