4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine

C26H24FNO3S — CID 24818802

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine
SMILESCOc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C26H24FNO3S/c1-29-20-7-3-17(4-8-20)26-25(18-5-9-23(30-2)22(27)15-18)21-16-19(6-10-24(21)32-26)28-11-13-31-14-12-28/h3-10,15-16H,11-14H2,1-2H3
InChIKeyVZRGYXPRIZWMKF-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.23
Rot. Bonds5

About 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine

4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine (PubChem CID 24818802) has the molecular formula C26H24FNO3S and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine
PubChem CID24818802
Molecular FormulaC26H24FNO3S
Molecular Weight449.55 g/mol
Exact Mass449.15
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine
SMILESCOc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C26H24FNO3S/c1-29-20-7-3-17(4-8-20)26-25(18-5-9-23(30-2)22(27)15-18)21-16-19(6-10-24(21)32-26)28-11-13-31-14-12-28/h3-10,15-16H,11-14H2,1-2H3
InChIKeyVZRGYXPRIZWMKF-UHFFFAOYSA-N
XLogP6.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine (CID 24818802) is 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine is COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2-c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine?
The InChIKey is VZRGYXPRIZWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO3S/c1-29-20-7-3-17(4-8-20)26-25(18-5-9-23(30-2)22(27)15-18)21-16-19(6-10-24(21)32-26)28-11-13-31-14-12-28/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine?
4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine has a molecular weight of 449.55 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine is sourced from PubChem (CID 24818802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).