5-(phenylmethoxymethyl)-1,4-oxathian-2-ol

C12H16O3S — CID 19350843

IUPAC5-(phenylmethoxymethyl)-1,4-oxathian-2-ol
SMILESOC1CSC(COCc2ccccc2)CO1
InChIInChI=1S/C12H16O3S/c13-12-9-16-11(8-15-12)7-14-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyMPDPFGUWSVPCDL-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.65
Rot. Bonds4

About 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol

5-(phenylmethoxymethyl)-1,4-oxathian-2-ol (PubChem CID 19350843) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-1,4-oxathian-2-ol
PubChem CID19350843
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name5-(phenylmethoxymethyl)-1,4-oxathian-2-ol
SMILESOC1CSC(COCc2ccccc2)CO1
InChIInChI=1S/C12H16O3S/c13-12-9-16-11(8-15-12)7-14-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyMPDPFGUWSVPCDL-UHFFFAOYSA-N
XLogP1.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12015177
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(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane
CID 11034542
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol?
The IUPAC name of 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol (CID 19350843) is 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol.
What is the SMILES notation for 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol?
The canonical SMILES for 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol is OC1CSC(COCc2ccccc2)CO1.
What is the InChIKey of 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol?
The InChIKey is MPDPFGUWSVPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c13-12-9-16-11(8-15-12)7-14-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2.
What are the key properties of 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol?
5-(phenylmethoxymethyl)-1,4-oxathian-2-ol has a molecular weight of 240.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-1,4-oxathian-2-ol is sourced from PubChem (CID 19350843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).