4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine

C18H16ClNOS — CID 16640365

IUPAC4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine
SMILESClc1ccc(-c2sc3ccccc3c2N2CCOCC2)cc1
InChIInChI=1S/C18H16ClNOS/c19-14-7-5-13(6-8-14)18-17(20-9-11-21-12-10-20)15-3-1-2-4-16(15)22-18/h1-8H,9-12H2
InChIKeyYKLDASUJSZWZAQ-UHFFFAOYSA-N
MW329.85 g/mol
LogP5.06
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine

4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine (PubChem CID 16640365) has the molecular formula C18H16ClNOS and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine
PubChem CID16640365
Molecular FormulaC18H16ClNOS
Molecular Weight329.85 g/mol
Exact Mass329.06
IUPAC Name4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine
SMILESClc1ccc(-c2sc3ccccc3c2N2CCOCC2)cc1
InChIInChI=1S/C18H16ClNOS/c19-14-7-5-13(6-8-14)18-17(20-9-11-21-12-10-20)15-3-1-2-4-16(15)22-18/h1-8H,9-12H2
InChIKeyYKLDASUJSZWZAQ-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.85
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine (CID 16640365) is 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine is Clc1ccc(-c2sc3ccccc3c2N2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine?
The InChIKey is YKLDASUJSZWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNOS/c19-14-7-5-13(6-8-14)18-17(20-9-11-21-12-10-20)15-3-1-2-4-16(15)22-18/h1-8H,9-12H2.
What are the key properties of 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine?
4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine has a molecular weight of 329.85 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]morpholine is sourced from PubChem (CID 16640365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).