(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol

C12H17FO2S — CID 107720663

IUPAC(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
SMILESCCSCCOc1ccc([C@H](C)O)c(F)c1
InChIInChI=1S/C12H17FO2S/c1-3-16-7-6-15-10-4-5-11(9(2)14)12(13)8-10/h4-5,8-9,14H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyQVGOJTZZEKAWTJ-VIFPVBQESA-N
MW244.33 g/mol
LogP3.01
Rot. Bonds6

About (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol

(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol (PubChem CID 107720663) has the molecular formula C12H17FO2S and a molecular weight of 244.33 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
PubChem CID107720663
Molecular FormulaC12H17FO2S
Molecular Weight244.33 g/mol
Exact Mass244.09
IUPAC Name(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
SMILESCCSCCOc1ccc([C@H](C)O)c(F)c1
InChIInChI=1S/C12H17FO2S/c1-3-16-7-6-15-10-4-5-11(9(2)14)12(13)8-10/h4-5,8-9,14H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyQVGOJTZZEKAWTJ-VIFPVBQESA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.01
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-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
CID 107719614
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(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
1-chloro-4-(2-ethylsulfanylethoxy)-2-fluorobenzene
CID 115899258
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
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
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol (CID 107720663) is (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol is CCSCCOc1ccc([C@H](C)O)c(F)c1.
What is the InChIKey of (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol?
The InChIKey is QVGOJTZZEKAWTJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17FO2S/c1-3-16-7-6-15-10-4-5-11(9(2)14)12(13)8-10/h4-5,8-9,14H,3,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol?
(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol has a molecular weight of 244.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol is sourced from PubChem (CID 107720663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).