3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol

C12H16O2S — CID 10585253

IUPAC3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol
SMILESCC1CCOC1(O)CSc1ccccc1
InChIInChI=1S/C12H16O2S/c1-10-7-8-14-12(10,13)9-15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyMUGXEZYCZJBQSG-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.52
Rot. Bonds3

About 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol

3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol (PubChem CID 10585253) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol
PubChem CID10585253
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol
SMILESCC1CCOC1(O)CSc1ccccc1
InChIInChI=1S/C12H16O2S/c1-10-7-8-14-12(10,13)9-15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyMUGXEZYCZJBQSG-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Methoxy(phenylsulfanyl)methyl]oxan-4-ol
CID 10800955
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
3-[Methoxy(phenylsulfanyl)methyl]thiolan-3-ol
CID 10825000
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645
9-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
CID 15122647
(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane
CID 134890527
[(3R,4R,5R)-4-methyl-5-[(E)-3-phenylsulfanylprop-1-enyl]dioxolan-3-yl]methanol
CID 134928069
2-(2-Fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanol
CID 66051124
2-(2-Fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanol
CID 66051898
2-(4-Fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanol
CID 66070343
2-(3-Fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanol
CID 66072468

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol?
The IUPAC name of 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol (CID 10585253) is 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol.
What is the SMILES notation for 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol?
The canonical SMILES for 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol is CC1CCOC1(O)CSc1ccccc1.
What is the InChIKey of 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol?
The InChIKey is MUGXEZYCZJBQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-10-7-8-14-12(10,13)9-15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol?
3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(phenylsulfanylmethyl)oxolan-2-ol is sourced from PubChem (CID 10585253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).