4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane

C24H23FO3S — CID 19106797

IUPAC4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane
SMILESCOC1(c2cc(F)cc(Sc3ccc(Oc4ccccc4)cc3)c2)CCOCC1
InChIInChI=1S/C24H23FO3S/c1-26-24(11-13-27-14-12-24)18-15-19(25)17-23(16-18)29-22-9-7-21(8-10-22)28-20-5-3-2-4-6-20/h2-10,15-17H,11-14H2,1H3
InChIKeyCLRCAVKIWLJJTG-UHFFFAOYSA-N
MW410.51 g/mol
LogP6.42
Rot. Bonds6

About 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane

4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane (PubChem CID 19106797) has the molecular formula C24H23FO3S and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane.

Molecular Properties

Compound Name4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane
PubChem CID19106797
Molecular FormulaC24H23FO3S
Molecular Weight410.51 g/mol
Exact Mass410.14
IUPAC Name4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane
SMILESCOC1(c2cc(F)cc(Sc3ccc(Oc4ccccc4)cc3)c2)CCOCC1
InChIInChI=1S/C24H23FO3S/c1-26-24(11-13-27-14-12-24)18-15-19(25)17-23(16-18)29-22-9-7-21(8-10-22)28-20-5-3-2-4-6-20/h2-10,15-17H,11-14H2,1H3
InChIKeyCLRCAVKIWLJJTG-UHFFFAOYSA-N
XLogP6.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane?
The IUPAC name of 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane (CID 19106797) is 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane.
What is the SMILES notation for 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane?
The canonical SMILES for 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane is COC1(c2cc(F)cc(Sc3ccc(Oc4ccccc4)cc3)c2)CCOCC1.
What is the InChIKey of 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane?
The InChIKey is CLRCAVKIWLJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO3S/c1-26-24(11-13-27-14-12-24)18-15-19(25)17-23(16-18)29-22-9-7-21(8-10-22)28-20-5-3-2-4-6-20/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane?
4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane has a molecular weight of 410.51 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane is sourced from PubChem (CID 19106797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).