1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol

C10H14O3S — CID 65350596

IUPAC1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)C1COCCO1
InChIInChI=1S/C10H14O3S/c11-9(5-8-1-4-14-7-8)10-6-12-2-3-13-10/h1,4,7,9-11H,2-3,5-6H2
InChIKeyKBSIGUYFUCZHEG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.07
Rot. Bonds3

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

1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol (PubChem CID 65350596) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
PubChem CID65350596
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)C1COCCO1
InChIInChI=1S/C10H14O3S/c11-9(5-8-1-4-14-7-8)10-6-12-2-3-13-10/h1,4,7,9-11H,2-3,5-6H2
InChIKeyKBSIGUYFUCZHEG-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65351038
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350697
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
CID 62805450
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol
CID 106600901
1-(oxolan-2-yl)-2-thiophen-3-ylethanamine
CID 61080120
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol (CID 65350596) is 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol?
The InChIKey is KBSIGUYFUCZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c11-9(5-8-1-4-14-7-8)10-6-12-2-3-13-10/h1,4,7,9-11H,2-3,5-6H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol?
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol has a molecular weight of 214.29 g/mol, XLogP of 1.07, 3 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)-2-thiophen-3-ylethanol is sourced from PubChem (CID 65350596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).