4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one

C11H13ClO2S — CID 116873896

IUPAC4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one
SMILESCC(=O)CCC1(c2ccc(Cl)s2)COC1
InChIInChI=1S/C11H13ClO2S/c1-8(13)4-5-11(6-14-7-11)9-2-3-10(12)15-9/h2-3H,4-7H2,1H3
InChIKeyORSXMQBLNVJAHK-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.04
Rot. Bonds4

About 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one

4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one (PubChem CID 116873896) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one
PubChem CID116873896
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one
SMILESCC(=O)CCC1(c2ccc(Cl)s2)COC1
InChIInChI=1S/C11H13ClO2S/c1-8(13)4-5-11(6-14-7-11)9-2-3-10(12)15-9/h2-3H,4-7H2,1H3
InChIKeyORSXMQBLNVJAHK-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872541
3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butanoic acid
CID 116872107
4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one
CID 116873902
3-bromo-3-(5-chlorothiophen-2-yl)oxetane
CID 116876367
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate
CID 116930219
3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol
CID 82119041
4-[(5-chlorothiophen-2-yl)amino]butan-2-one
CID 115235367
[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116930330
3-[3-(5-bromothiophen-2-yl)oxetan-3-yl]-2,2-dimethylpropanoic acid
CID 116872183
[1-(5-chlorothiophen-2-yl)cyclopentyl]methanamine;hydrochloride
CID 56773690

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one?
The IUPAC name of 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one (CID 116873896) is 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one.
What is the SMILES notation for 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one?
The canonical SMILES for 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one is CC(=O)CCC1(c2ccc(Cl)s2)COC1.
What is the InChIKey of 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one?
The InChIKey is ORSXMQBLNVJAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-8(13)4-5-11(6-14-7-11)9-2-3-10(12)15-9/h2-3H,4-7H2,1H3.
What are the key properties of 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one?
4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one has a molecular weight of 244.74 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one is sourced from PubChem (CID 116873896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).