1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol

C11H16O3S — CID 65351236

IUPAC1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1COCCO1
InChIInChI=1S/C11H16O3S/c12-10(11-7-13-4-5-14-11)2-1-9-3-6-15-8-9/h3,6,8,10-12H,1-2,4-5,7H2
InChIKeyJFSBHOPEKQLTAS-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.46
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol

1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 65351236) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID65351236
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1COCCO1
InChIInChI=1S/C11H16O3S/c12-10(11-7-13-4-5-14-11)2-1-9-3-6-15-8-9/h3,6,8,10-12H,1-2,4-5,7H2
InChIKeyJFSBHOPEKQLTAS-UHFFFAOYSA-N
XLogP1.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65351038
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798359
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 79087408
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
CID 62805450
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097836

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol (CID 65351236) is 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is JFSBHOPEKQLTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c12-10(11-7-13-4-5-14-11)2-1-9-3-6-15-8-9/h3,6,8,10-12H,1-2,4-5,7H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol?
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 228.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65351236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).