[3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol

C13H20O3S — CID 59760313

IUPAC[3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol
SMILESCCC(OC1CCCCO1)c1ccsc1CO
InChIInChI=1S/C13H20O3S/c1-2-11(10-6-8-17-12(10)9-14)16-13-5-3-4-7-15-13/h6,8,11,13-14H,2-5,7,9H2,1H3
InChIKeyAJJNYJKSFQGVQK-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.23
Rot. Bonds5

About [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol

[3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol (PubChem CID 59760313) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol
PubChem CID59760313
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name[3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol
SMILESCCC(OC1CCCCO1)c1ccsc1CO
InChIInChI=1S/C13H20O3S/c1-2-11(10-6-8-17-12(10)9-14)16-13-5-3-4-7-15-13/h6,8,11,13-14H,2-5,7,9H2,1H3
InChIKeyAJJNYJKSFQGVQK-UHFFFAOYSA-N
XLogP3.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol?
The IUPAC name of [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol (CID 59760313) is [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol.
What is the SMILES notation for [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol?
The canonical SMILES for [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol is CCC(OC1CCCCO1)c1ccsc1CO.
What is the InChIKey of [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol?
The InChIKey is AJJNYJKSFQGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-2-11(10-6-8-17-12(10)9-14)16-13-5-3-4-7-15-13/h6,8,11,13-14H,2-5,7,9H2,1H3.
What are the key properties of [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol?
[3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol has a molecular weight of 256.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(oxan-2-yloxy)propyl]thiophen-2-yl]methanol is sourced from PubChem (CID 59760313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).