(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol

C15H20O4S — CID 25186049

IUPAC(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol
SMILESCC[C@@H]1O[C@@H]([C@H](C)O)C=C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20O4S/c1-4-13-15(9-14(19-13)11(3)16)20(17,18)12-7-5-10(2)6-8-12/h5-9,11,13-14,16H,4H2,1-3H3/t11-,13-,14+/m0/s1
InChIKeySYUPDVIQZWBPNX-FPMFFAJLSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds4

About (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol

(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol (PubChem CID 25186049) has the molecular formula C15H20O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol
PubChem CID25186049
Molecular FormulaC15H20O4S
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Name(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol
SMILESCC[C@@H]1O[C@@H]([C@H](C)O)C=C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20O4S/c1-4-13-15(9-14(19-13)11(3)16)20(17,18)12-7-5-10(2)6-8-12/h5-9,11,13-14,16H,4H2,1-3H3/t11-,13-,14+/m0/s1
InChIKeySYUPDVIQZWBPNX-FPMFFAJLSA-N
XLogP2.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]methanol
CID 10869755
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
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
[(2R,3S)-2-hydroxy-3-methylpentyl] 4-methylbenzenesulfonate
CID 59131945
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
hexane-2,5-diol;bis(4-methylbenzenesulfonic acid)
CID 88693711
1-hydroxyethyl(trimethyl)azanium;4-methylbenzenesulfonate
CID 175547526
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol (CID 25186049) is (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol is CC[C@@H]1O[C@@H]([C@H](C)O)C=C1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol?
The InChIKey is SYUPDVIQZWBPNX-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H20O4S/c1-4-13-15(9-14(19-13)11(3)16)20(17,18)12-7-5-10(2)6-8-12/h5-9,11,13-14,16H,4H2,1-3H3/t11-,13-,14+/m0/s1.
What are the key properties of (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol?
(1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol has a molecular weight of 296.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-2,5-dihydrofuran-2-yl]ethanol is sourced from PubChem (CID 25186049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).