(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol

C14H13FOS — CID 63813079

IUPAC(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccccc1F
InChIInChI=1S/C14H13FOS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10,16H,1H3/t10-/m1/s1
InChIKeyPUONTFLWOSZQKB-SNVBAGLBSA-N
MW248.32 g/mol
LogP4.03
Rot. Bonds3

About (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol

(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol (PubChem CID 63813079) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
PubChem CID63813079
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccccc1F
InChIInChI=1S/C14H13FOS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10,16H,1H3/t10-/m1/s1
InChIKeyPUONTFLWOSZQKB-SNVBAGLBSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
CID 78951470
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol (CID 63813079) is (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol is C[C@@H](O)c1ccccc1Sc1ccccc1F.
What is the InChIKey of (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol?
The InChIKey is PUONTFLWOSZQKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FOS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10,16H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol?
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol has a molecular weight of 248.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63813079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).