4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane

C25H25FO3S — CID 19106750

IUPAC4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
SMILESCOC1(c2cccc(Sc3ccc(COc4ccc(F)cc4)cc3)c2)CCOCC1
InChIInChI=1S/C25H25FO3S/c1-27-25(13-15-28-16-14-25)20-3-2-4-24(17-20)30-23-11-5-19(6-12-23)18-29-22-9-7-21(26)8-10-22/h2-12,17H,13-16,18H2,1H3
InChIKeyOVGQJYQLAZYIPF-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.21
Rot. Bonds7

About 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane

4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane (PubChem CID 19106750) has the molecular formula C25H25FO3S and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane.

Molecular Properties

Compound Name4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
PubChem CID19106750
Molecular FormulaC25H25FO3S
Molecular Weight424.54 g/mol
Exact Mass424.15
IUPAC Name4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
SMILESCOC1(c2cccc(Sc3ccc(COc4ccc(F)cc4)cc3)c2)CCOCC1
InChIInChI=1S/C25H25FO3S/c1-27-25(13-15-28-16-14-25)20-3-2-4-24(17-20)30-23-11-5-19(6-12-23)18-29-22-9-7-21(26)8-10-22/h2-12,17H,13-16,18H2,1H3
InChIKeyOVGQJYQLAZYIPF-UHFFFAOYSA-N
XLogP6.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane with MolForge

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Related Compounds

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
Benzene, 1-((2-(4-(methylthio)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067131
Benzene, 1-(4-methoxyphenoxy)-3-((2-(4-(methylthio)phenyl)-2-methylpropoxy)methyl)-
CID 3067180
Benzene, 1-((2-(4-(ethylthio)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067203
Benzene, 1-fluoro-4-((2-(4-((1-methylethyl)thio)phenyl)-2-methylpropoxy)methyl)-2-phenoxy-
CID 3068494
1-(2-Fluoroethoxy)-4-(2-(4-(methylsulfonyl)phenyl)-1-phenylhex-1-enyl)benzene
CID 49864411
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(m-tolyl)sulfane
CID 162623347
4'-Butoxy-4-trifluoromethylsulfanyl-biphenyl
CID 14816969
1-(4-Fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
CID 102218720
2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene
CID 135027066
1-(4-Fluorophenyl)-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 139249063

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane?
The IUPAC name of 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane (CID 19106750) is 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane.
What is the SMILES notation for 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane?
The canonical SMILES for 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane is COC1(c2cccc(Sc3ccc(COc4ccc(F)cc4)cc3)c2)CCOCC1.
What is the InChIKey of 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane?
The InChIKey is OVGQJYQLAZYIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO3S/c1-27-25(13-15-28-16-14-25)20-3-2-4-24(17-20)30-23-11-5-19(6-12-23)18-29-22-9-7-21(26)8-10-22/h2-12,17H,13-16,18H2,1H3.
What are the key properties of 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane?
4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane has a molecular weight of 424.54 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane is sourced from PubChem (CID 19106750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).