3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane

C13H16O2S — CID 79404253

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane
SMILESc1ccc2c(c1)SCC2COC1CCOC1
InChIInChI=1S/C13H16O2S/c1-2-4-13-12(3-1)10(9-16-13)7-15-11-5-6-14-8-11/h1-4,10-11H,5-9H2
InChIKeyGQEXTZUNGHYABZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.68
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane

3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane (PubChem CID 79404253) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane
PubChem CID79404253
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane
SMILESc1ccc2c(c1)SCC2COC1CCOC1
InChIInChI=1S/C13H16O2S/c1-2-4-13-12(3-1)10(9-16-13)7-15-11-5-6-14-8-11/h1-4,10-11H,5-9H2
InChIKeyGQEXTZUNGHYABZ-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane (CID 79404253) is 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane is c1ccc2c(c1)SCC2COC1CCOC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane?
The InChIKey is GQEXTZUNGHYABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-2-4-13-12(3-1)10(9-16-13)7-15-11-5-6-14-8-11/h1-4,10-11H,5-9H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane?
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane has a molecular weight of 236.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane is sourced from PubChem (CID 79404253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).