1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol

C13H13FO2S — CID 63814189

IUPAC1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1SCc1ccco1
InChIInChI=1S/C13H13FO2S/c1-9(15)13-11(14)5-2-6-12(13)17-8-10-4-3-7-16-10/h2-7,9,15H,8H2,1H3
InChIKeyWJQYFNZTXFGLKY-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.76
Rot. Bonds4

About 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol

1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 63814189) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
PubChem CID63814189
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1SCc1ccco1
InChIInChI=1S/C13H13FO2S/c1-9(15)13-11(14)5-2-6-12(13)17-8-10-4-3-7-16-10/h2-7,9,15H,8H2,1H3
InChIKeyWJQYFNZTXFGLKY-UHFFFAOYSA-N
XLogP3.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814324
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855818
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
3-fluoro-2-(furan-2-ylmethylsulfanyl)benzoic acid
CID 62648594
N-[[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63808491
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol (CID 63814189) is 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol is CC(O)c1c(F)cccc1SCc1ccco1.
What is the InChIKey of 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is WJQYFNZTXFGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-9(15)13-11(14)5-2-6-12(13)17-8-10-4-3-7-16-10/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63814189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).