1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol

C13H19FO2S — CID 107719614

IUPAC1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
SMILESCCSCCCOc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C13H19FO2S/c1-3-17-8-4-7-16-11-5-6-12(10(2)15)13(14)9-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyHTTCEJLZBAVOJQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.40
Rot. Bonds7

About 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol

1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol (PubChem CID 107719614) has the molecular formula C13H19FO2S and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
PubChem CID107719614
Molecular FormulaC13H19FO2S
Molecular Weight258.36 g/mol
Exact Mass258.11
IUPAC Name1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
SMILESCCSCCCOc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C13H19FO2S/c1-3-17-8-4-7-16-11-5-6-12(10(2)15)13(14)9-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyHTTCEJLZBAVOJQ-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol 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-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
CID 107720663
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
5-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-2,2-dimethylpentanenitrile
CID 107720244

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol (CID 107719614) is 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol is CCSCCCOc1ccc(C(C)O)c(F)c1.
What is the InChIKey of 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol?
The InChIKey is HTTCEJLZBAVOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2S/c1-3-17-8-4-7-16-11-5-6-12(10(2)15)13(14)9-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol?
1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).