[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol

C12H16O2S — CID 11790849

IUPAC[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
SMILESOC[C@@H]1CSC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H16O2S/c13-6-11-8-15-9-12(11)14-7-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12-/m1/s1
InChIKeyVRXYDXDOTFFNPT-VXGBXAGGSA-N
MW224.32 g/mol
LogP1.93
Rot. Bonds4

About [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol

[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol (PubChem CID 11790849) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
PubChem CID11790849
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
SMILESOC[C@@H]1CSC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H16O2S/c13-6-11-8-15-9-12(11)14-7-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12-/m1/s1
InChIKeyVRXYDXDOTFFNPT-VXGBXAGGSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
CID 167117714
[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol
CID 10316487
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
CID 101023558
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol (CID 11790849) is [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol is OC[C@@H]1CSC[C@H]1OCc1ccccc1.
What is the InChIKey of [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol?
The InChIKey is VRXYDXDOTFFNPT-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2S/c13-6-11-8-15-9-12(11)14-7-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12-/m1/s1.
What are the key properties of [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol?
[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol has a molecular weight of 224.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol is sourced from PubChem (CID 11790849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).