2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol

C11H15FO2S — CID 65130437

IUPAC2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCCSCC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H15FO2S/c1-3-15-7-10(13)8-4-5-11(14-2)9(12)6-8/h4-6,10,13H,3,7H2,1-2H3
InChIKeySMPHXLGDKJPAJI-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.62
Rot. Bonds5

About 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol

2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 65130437) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID65130437
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCCSCC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H15FO2S/c1-3-15-7-10(13)8-4-5-11(14-2)9(12)6-8/h4-6,10,13H,3,7H2,1-2H3
InChIKeySMPHXLGDKJPAJI-UHFFFAOYSA-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

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol
CID 110905203
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 65130437) is 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol is CCSCC(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is SMPHXLGDKJPAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2S/c1-3-15-7-10(13)8-4-5-11(14-2)9(12)6-8/h4-6,10,13H,3,7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)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 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 65130437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).