(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol

C15H15FO2S — CID 78951739

IUPAC(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1ccccc1Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H15FO2S/c1-10(17)12-9-11(16)7-8-14(12)19-15-6-4-3-5-13(15)18-2/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyQNIKDNMLMPHBNG-JTQLQIEISA-N
MW278.35 g/mol
LogP4.04
Rot. Bonds4

About (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol

(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol (PubChem CID 78951739) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
PubChem CID78951739
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1ccccc1Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H15FO2S/c1-10(17)12-9-11(16)7-8-14(12)19-15-6-4-3-5-13(15)18-2/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyQNIKDNMLMPHBNG-JTQLQIEISA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
(1S)-1-[3-bromo-4-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951620
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 114001142
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol (CID 78951739) is (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol is COc1ccccc1Sc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol?
The InChIKey is QNIKDNMLMPHBNG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FO2S/c1-10(17)12-9-11(16)7-8-14(12)19-15-6-4-3-5-13(15)18-2/h3-10,17H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol?
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol has a molecular weight of 278.35 g/mol, XLogP of 4.04, 4 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-methoxyphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78951739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).