2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane

C11H15ClO2S — CID 130588157

IUPAC2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane
SMILESCOc1ccc(C(Cl)C2CCC(C)O2)s1
InChIInChI=1S/C11H15ClO2S/c1-7-3-4-8(14-7)11(12)9-5-6-10(13-2)15-9/h5-8,11H,3-4H2,1-2H3
InChIKeyTXAZSOFBEILXQQ-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.60
Rot. Bonds3

About 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane

2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane (PubChem CID 130588157) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane
PubChem CID130588157
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane
SMILESCOc1ccc(C(Cl)C2CCC(C)O2)s1
InChIInChI=1S/C11H15ClO2S/c1-7-3-4-8(14-7)11(12)9-5-6-10(13-2)15-9/h5-8,11H,3-4H2,1-2H3
InChIKeyTXAZSOFBEILXQQ-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane?
The IUPAC name of 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane (CID 130588157) is 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane.
What is the SMILES notation for 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane?
The canonical SMILES for 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane is COc1ccc(C(Cl)C2CCC(C)O2)s1.
What is the InChIKey of 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane?
The InChIKey is TXAZSOFBEILXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-7-3-4-8(14-7)11(12)9-5-6-10(13-2)15-9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane?
2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane has a molecular weight of 246.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane is sourced from PubChem (CID 130588157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).