(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol

C15H15FO3S2 — CID 78951660

IUPAC(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C15H15FO3S2/c1-10(17)11-3-8-15(14(16)9-11)20-12-4-6-13(7-5-12)21(2,18)19/h3-10,17H,1-2H3/t10-/m1/s1
InChIKeyRLZKLHIVAKXXAP-SNVBAGLBSA-N
MW326.41 g/mol
LogP3.43
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol

(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol (PubChem CID 78951660) has the molecular formula C15H15FO3S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
PubChem CID78951660
Molecular FormulaC15H15FO3S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C15H15FO3S2/c1-10(17)11-3-8-15(14(16)9-11)20-12-4-6-13(7-5-12)21(2,18)19/h3-10,17H,1-2H3/t10-/m1/s1
InChIKeyRLZKLHIVAKXXAP-SNVBAGLBSA-N
XLogP3.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63813564
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
CID 63374650
(1S)-1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]ethanol
CID 55240041
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951725
4-fluoro-3-(4-methylsulfonylphenyl)sulfanylbenzoic acid
CID 80549528
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
CID 79746730
(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
CID 106933378
4-[2,4-bis(methylsulfonyl)phenyl]sulfanyl-1,2-difluorobenzene
CID 51285177
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
CID 78952025

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol (CID 78951660) is (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol is C[C@@H](O)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
The InChIKey is RLZKLHIVAKXXAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FO3S2/c1-10(17)11-3-8-15(14(16)9-11)20-12-4-6-13(7-5-12)21(2,18)19/h3-10,17H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol has a molecular weight of 326.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78951660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).