[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol

C14H18O4S — CID 10869755

IUPAC[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol
SMILESCC[C@@H]1O[C@@H](CO)C=C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18O4S/c1-3-13-14(8-11(9-15)18-13)19(16,17)12-6-4-10(2)5-7-12/h4-8,11,13,15H,3,9H2,1-2H3/t11-,13+/m1/s1
InChIKeyIBYZBOLDGPHDPH-YPMHNXCESA-N
MW282.36 g/mol
LogP1.82
Rot. Bonds4

About [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol

[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol (PubChem CID 10869755) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol
PubChem CID10869755
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol
SMILESCC[C@@H]1O[C@@H](CO)C=C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18O4S/c1-3-13-14(8-11(9-15)18-13)19(16,17)12-6-4-10(2)5-7-12/h4-8,11,13,15H,3,9H2,1-2H3/t11-,13+/m1/s1
InChIKeyIBYZBOLDGPHDPH-YPMHNXCESA-N
XLogP1.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol
CID 25186049
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol;bis(4-methylbenzenesulfonic acid)
CID 86755706
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
4-methylbenzenesulfonic acid;[(2R)-oxiran-2-yl]methanol
CID 122197608
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol
CID 131866199
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol (CID 10869755) is [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol is CC[C@@H]1O[C@@H](CO)C=C1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is IBYZBOLDGPHDPH-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18O4S/c1-3-13-14(8-11(9-15)18-13)19(16,17)12-6-4-10(2)5-7-12/h4-8,11,13,15H,3,9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol?
[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 282.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 10869755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).