2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol

C12H16O3S — CID 15473194

IUPAC2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
SMILESCc1ccc([S@](=O)CC2(O)CCCO2)cc1
InChIInChI=1S/C12H16O3S/c1-10-3-5-11(6-4-10)16(14)9-12(13)7-2-8-15-12/h3-6,13H,2,7-9H2,1H3/t12?,16-/m1/s1
InChIKeyHZCBDUZIJPNYJR-PVQCJRHBSA-N
MW240.32 g/mol
LogP1.60
Rot. Bonds3

About 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol

2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol (PubChem CID 15473194) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol.

Molecular Properties

Compound Name2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
PubChem CID15473194
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
SMILESCc1ccc([S@](=O)CC2(O)CCCO2)cc1
InChIInChI=1S/C12H16O3S/c1-10-3-5-11(6-4-10)16(14)9-12(13)7-2-8-15-12/h3-6,13H,2,7-9H2,1H3/t12?,16-/m1/s1
InChIKeyHZCBDUZIJPNYJR-PVQCJRHBSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol 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

chloro-[[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methyl]mercury
CID 134880965
[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
CID 134934219
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 11030797
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
CID 135060236
2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
trans-(1R,2R)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 11031949
3-Methyl-2-(phenylsulfanylmethyl)oxolan-2-ol
CID 10585253
2-Butanol, 3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]-, (2S)-
CID 10933197
1-(4-Methylphenyl)sulfonylpentan-3-ol
CID 11128481
(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol
CID 11220252
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]-3-[(2R)-oxiran-2-yl]propan-2-ol
CID 11447825

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol?
The IUPAC name of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol (CID 15473194) is 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol.
What is the SMILES notation for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol?
The canonical SMILES for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol is Cc1ccc([S@](=O)CC2(O)CCCO2)cc1.
What is the InChIKey of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol?
The InChIKey is HZCBDUZIJPNYJR-PVQCJRHBSA-N. The full InChI is InChI=1S/C12H16O3S/c1-10-3-5-11(6-4-10)16(14)9-12(13)7-2-8-15-12/h3-6,13H,2,7-9H2,1H3/t12?,16-/m1/s1.
What are the key properties of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol?
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol has a molecular weight of 240.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol is sourced from PubChem (CID 15473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).