[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol

C13H17FO3S — CID 134934219

IUPAC[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
SMILESCc1ccc(S(=O)C[C@H]2O[C@@H](CO)C[C@H]2F)cc1
InChIInChI=1S/C13H17FO3S/c1-9-2-4-11(5-3-9)18(16)8-13-12(14)6-10(7-15)17-13/h2-5,10,12-13,15H,6-8H2,1H3/t10-,12-,13-,18?/m1/s1
InChIKeyDRHWEJLCIYGYMB-DQEBTCCXSA-N
MW272.34 g/mol
LogP1.59
Rot. Bonds4

About [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol

[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol (PubChem CID 134934219) has the molecular formula C13H17FO3S and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
PubChem CID134934219
Molecular FormulaC13H17FO3S
Molecular Weight272.34 g/mol
Exact Mass272.09
IUPAC Name[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
SMILESCc1ccc(S(=O)C[C@H]2O[C@@H](CO)C[C@H]2F)cc1
InChIInChI=1S/C13H17FO3S/c1-9-2-4-11(5-3-9)18(16)8-13-12(14)6-10(7-15)17-13/h2-5,10,12-13,15H,6-8H2,1H3/t10-,12-,13-,18?/m1/s1
InChIKeyDRHWEJLCIYGYMB-DQEBTCCXSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)sulfanyloxane-3,4,5-triol
CID 172461518
2,5-Anhydro-1-O-(4-tolylsulfonyl)mannitol
CID 192214
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10488905
(2R)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 13624105
(1R,2R,3S,6S)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 14936917
chloro-[[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methyl]mercury
CID 134880965
(1S,2R,3R,6R)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 134933577
(1S,2S,3R,6R)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 134933677
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
CID 135060236
[5-(Hydroxymethyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 13439970

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol?
The IUPAC name of [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol (CID 134934219) is [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol is Cc1ccc(S(=O)C[C@H]2O[C@@H](CO)C[C@H]2F)cc1.
What is the InChIKey of [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol?
The InChIKey is DRHWEJLCIYGYMB-DQEBTCCXSA-N. The full InChI is InChI=1S/C13H17FO3S/c1-9-2-4-11(5-3-9)18(16)8-13-12(14)6-10(7-15)17-13/h2-5,10,12-13,15H,6-8H2,1H3/t10-,12-,13-,18?/m1/s1.
What are the key properties of [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol?
[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol has a molecular weight of 272.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol is sourced from PubChem (CID 134934219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).