(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol

C13H13FO2S — CID 114001142

IUPAC(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
SMILESCc1occc1Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C13H13FO2S/c1-8(15)11-7-10(14)3-4-13(11)17-12-5-6-16-9(12)2/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyOBOUFYRONMGTSX-QMMMGPOBSA-N
MW252.31 g/mol
LogP3.93
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol

(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol (PubChem CID 114001142) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
PubChem CID114001142
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
SMILESCc1occc1Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C13H13FO2S/c1-8(15)11-7-10(14)3-4-13(11)17-12-5-6-16-9(12)2/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyOBOUFYRONMGTSX-QMMMGPOBSA-N
XLogP3.93
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 107783479
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
4-(1-hydroxyethyl)-3-(2-methylfuran-3-yl)sulfanylbenzonitrile
CID 114001143
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
2-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63814474
(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 78951688
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol (CID 114001142) is (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol is Cc1occc1Sc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
The InChIKey is OBOUFYRONMGTSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-8(15)11-7-10(14)3-4-13(11)17-12-5-6-16-9(12)2/h3-8,15H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 114001142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).