1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol

C14H22O3S — CID 116754334

IUPAC1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCCOC1(C(O)CCc2ccsc2)CCOCC1
InChIInChI=1S/C14H22O3S/c1-2-17-14(6-8-16-9-7-14)13(15)4-3-12-5-10-18-11-12/h5,10-11,13,15H,2-4,6-9H2,1H3
InChIKeyTXGMPUHJDXOSBG-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol

1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 116754334) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID116754334
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCCOC1(C(O)CCc2ccsc2)CCOCC1
InChIInChI=1S/C14H22O3S/c1-2-17-14(6-8-16-9-7-14)13(15)4-3-12-5-10-18-11-12/h5,10-11,13,15H,2-4,6-9H2,1H3
InChIKeyTXGMPUHJDXOSBG-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
[1-(1-ethoxy-4-methylcyclohexyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105277340
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 116768130
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 79057210
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol (CID 116754334) is 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol is CCOC1(C(O)CCc2ccsc2)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is TXGMPUHJDXOSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-2-17-14(6-8-16-9-7-14)13(15)4-3-12-5-10-18-11-12/h5,10-11,13,15H,2-4,6-9H2,1H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol?
1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 270.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 116754334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).