(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol

C15H16O3S2 — CID 78951725

IUPAC(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16O3S2/c1-11(16)14-5-3-4-6-15(14)19-12-7-9-13(10-8-12)20(2,17)18/h3-11,16H,1-2H3/t11-/m1/s1
InChIKeyDMNXWUNJKJDAOT-LLVKDONJSA-N
MW308.42 g/mol
LogP3.29
Rot. Bonds4

About (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol

(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol (PubChem CID 78951725) has the molecular formula C15H16O3S2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
PubChem CID78951725
Molecular FormulaC15H16O3S2
Molecular Weight308.42 g/mol
Exact Mass308.05
IUPAC Name(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16O3S2/c1-11(16)14-5-3-4-6-15(14)19-12-7-9-13(10-8-12)20(2,17)18/h3-11,16H,1-2H3/t11-/m1/s1
InChIKeyDMNXWUNJKJDAOT-LLVKDONJSA-N
XLogP3.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
CID 103719165
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
2-(4-methylsulfonylphenyl)sulfanylbenzaldehyde
CID 63803584
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
2-amino-3-(4-methylsulfonylphenyl)sulfanylbenzoic acid
CID 115547632
(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
CID 106933378
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol (CID 78951725) is (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol is C[C@@H](O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
The InChIKey is DMNXWUNJKJDAOT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16O3S2/c1-11(16)14-5-3-4-6-15(14)19-12-7-9-13(10-8-12)20(2,17)18/h3-11,16H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol?
(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol has a molecular weight of 308.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78951725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).