(1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol

C12H16O3S — CID 134995597

IUPAC(1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol
SMILESCOC[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1
InChIInChI=1S/C12H16O3S/c1-14-8-11(13)10-7-15-12(10)16-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12-/m1/s1
InChIKeyPVPFMWLGAXYULD-IJLUTSLNSA-N
MW240.32 g/mol
LogP1.76
Rot. Bonds5

About (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol

(1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol (PubChem CID 134995597) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol
PubChem CID134995597
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol
SMILESCOC[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1
InChIInChI=1S/C12H16O3S/c1-14-8-11(13)10-7-15-12(10)16-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12-/m1/s1
InChIKeyPVPFMWLGAXYULD-IJLUTSLNSA-N
XLogP1.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Phenylthio)-1,2-propanediol
CID 21231
1-(Phenylsulfanyl)-3-[(propan-2-yl)oxy]propan-2-ol
CID 60670968
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
1-Ethoxy-3-phenylsulfanylpropan-2-ol
CID 2953136
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
4-[Methoxy(phenylsulfanyl)methyl]oxan-4-ol
CID 10800955
4-[Methoxy(phenylsulfanyl)methyl]thian-4-ol
CID 10802014
Phenyl 1-thio-beta-D-xylopyranoside
CID 10466912
(2S)-3-phenylsulfanylpropane-1,2-diol
CID 13136544
Phenyl 1-thio-alpha-l-arabinopyranoside
CID 15489179
6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol
CID 18729300
2-Fluoro-3-[2-hydroxy-1-(4-methylphenyl)sulfanylpropoxy]butane-1,4-diol
CID 70986865

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
The IUPAC name of (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol (CID 134995597) is (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol.
What is the SMILES notation for (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
The canonical SMILES for (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol is COC[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1.
What is the InChIKey of (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
The InChIKey is PVPFMWLGAXYULD-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H16O3S/c1-14-8-11(13)10-7-15-12(10)16-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12-/m1/s1.
What are the key properties of (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
(1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol is sourced from PubChem (CID 134995597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).