3-(1-benzothiophen-2-yl)oxetane

C11H10OS — CID 119082125

IUPAC3-(1-benzothiophen-2-yl)oxetane
SMILESc1ccc2sc(C3COC3)cc2c1
InChIInChI=1S/C11H10OS/c1-2-4-10-8(3-1)5-11(13-10)9-6-12-7-9/h1-5,9H,6-7H2
InChIKeyANHSEPALNNQLRI-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.02
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)oxetane

3-(1-benzothiophen-2-yl)oxetane (PubChem CID 119082125) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)oxetane.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)oxetane
PubChem CID119082125
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name3-(1-benzothiophen-2-yl)oxetane
SMILESc1ccc2sc(C3COC3)cc2c1
InChIInChI=1S/C11H10OS/c1-2-4-10-8(3-1)5-11(13-10)9-6-12-7-9/h1-5,9H,6-7H2
InChIKeyANHSEPALNNQLRI-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-2-yl)cyclobutan-1-one
CID 114911359
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
3-(1-benzothiophen-2-yl)cyclopentan-1-one
CID 102578531
2-(2,2-difluorocyclopropyl)-1-benzothiophene
CID 178074860
2-(2-fluorocyclopropyl)-1-benzothiophene
CID 162416065
2-(1-benzothiophen-2-yl)-1,3-benzodioxin-4-one
CID 176765895
3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one
CID 12758158
3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 114911379
3-(1-benzothiophen-2-yl)-1-hydroxy-3H-2,1-benzoxaborole
CID 23642213
1,4-dioxan-2-yl 1-benzothiophene-2-carboxylate
CID 162409126
2,2-bis(1-benzothiophen-2-yl)oxirane
CID 90390877
2-(fluoromethyl)-1-benzothiophene
CID 119085404

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)oxetane?
The IUPAC name of 3-(1-benzothiophen-2-yl)oxetane (CID 119082125) is 3-(1-benzothiophen-2-yl)oxetane.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)oxetane?
The canonical SMILES for 3-(1-benzothiophen-2-yl)oxetane is c1ccc2sc(C3COC3)cc2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)oxetane?
The InChIKey is ANHSEPALNNQLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-4-10-8(3-1)5-11(13-10)9-6-12-7-9/h1-5,9H,6-7H2.
What are the key properties of 3-(1-benzothiophen-2-yl)oxetane?
3-(1-benzothiophen-2-yl)oxetane has a molecular weight of 190.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)oxetane is sourced from PubChem (CID 119082125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).