(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol

C14H20O2S — CID 10332467

IUPAC(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol
SMILESC[C@@](O)(CCSc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C14H20O2S/c1-14(15,13-8-5-10-16-13)9-11-17-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyLWJXXFAPEHITJE-ZIAGYGMSSA-N
MW252.38 g/mol
LogP3.10
Rot. Bonds5

About (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol

(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol (PubChem CID 10332467) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol
PubChem CID10332467
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol
SMILESC[C@@](O)(CCSc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C14H20O2S/c1-14(15,13-8-5-10-16-13)9-11-17-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyLWJXXFAPEHITJE-ZIAGYGMSSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.10
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
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994
[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
CID 134934219
4-[Methoxy(phenylsulfanyl)methyl]oxan-4-ol
CID 10800955
4-Methylphenyl 1-thio-alpha-D-mannopyranoside
CID 23635454
2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
CID 580045
3-[Methoxy(phenylsulfanyl)methyl]thiolan-3-ol
CID 10825000
1-Methoxy-1-phenylsulfanyloctan-2-ol
CID 12572021
(2R,4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylsulfanylhept-6-ene-2,4-diol
CID 14167466

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol?
The IUPAC name of (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol (CID 10332467) is (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol.
What is the SMILES notation for (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol?
The canonical SMILES for (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol is C[C@@](O)(CCSc1ccccc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol?
The InChIKey is LWJXXFAPEHITJE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20O2S/c1-14(15,13-8-5-10-16-13)9-11-17-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol?
(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol has a molecular weight of 252.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 10332467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).