3-(4-chlorophenoxy)-1-benzothiophene 1-oxide

C14H9ClO2S — CID 15959566

IUPAC3-(4-chlorophenoxy)-1-benzothiophene 1-oxide
SMILESO=S1C=C(Oc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H9ClO2S/c15-10-5-7-11(8-6-10)17-13-9-18(16)14-4-2-1-3-12(13)14/h1-9H
InChIKeyXPGNPWFOXIVOTQ-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.84
Rot. Bonds2

About 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide

3-(4-chlorophenoxy)-1-benzothiophene 1-oxide (PubChem CID 15959566) has the molecular formula C14H9ClO2S and a molecular weight of 276.74 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-benzothiophene 1-oxide
PubChem CID15959566
Molecular FormulaC14H9ClO2S
Molecular Weight276.74 g/mol
Exact Mass276.00
IUPAC Name3-(4-chlorophenoxy)-1-benzothiophene 1-oxide
SMILESO=S1C=C(Oc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H9ClO2S/c15-10-5-7-11(8-6-10)17-13-9-18(16)14-4-2-1-3-12(13)14/h1-9H
InChIKeyXPGNPWFOXIVOTQ-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide?
The IUPAC name of 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide (CID 15959566) is 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide?
The canonical SMILES for 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide is O=S1C=C(Oc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide?
The InChIKey is XPGNPWFOXIVOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2S/c15-10-5-7-11(8-6-10)17-13-9-18(16)14-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide?
3-(4-chlorophenoxy)-1-benzothiophene 1-oxide has a molecular weight of 276.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-benzothiophene 1-oxide is sourced from PubChem (CID 15959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).