4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene

C26H20F2O2S — CID 141399612

IUPAC4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(F)ccc2Sc2ccc(F)cc2-c2cccc(OC)c2)c1
InChIInChI=1S/C26H20F2O2S/c1-29-21-7-3-5-17(13-21)23-15-19(27)9-11-25(23)31-26-12-10-20(28)16-24(26)18-6-4-8-22(14-18)30-2/h3-16H,1-2H3
InChIKeyZJTYNERJIDTODX-UHFFFAOYSA-N
MW434.51 g/mol
LogP7.47
Rot. Bonds6

About 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene

4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene (PubChem CID 141399612) has the molecular formula C26H20F2O2S and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene.

Molecular Properties

Compound Name4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
PubChem CID141399612
Molecular FormulaC26H20F2O2S
Molecular Weight434.51 g/mol
Exact Mass434.12
IUPAC Name4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(F)ccc2Sc2ccc(F)cc2-c2cccc(OC)c2)c1
InChIInChI=1S/C26H20F2O2S/c1-29-21-7-3-5-17(13-21)23-15-19(27)9-11-25(23)31-26-12-10-20(28)16-24(26)18-6-4-8-22(14-18)30-2/h3-16H,1-2H3
InChIKeyZJTYNERJIDTODX-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone
CID 58068029
tris[[2,6-bis(3-methoxyphenyl)phenyl]sulfanyl]bismuthane
CID 87490956
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
1-(3-fluorophenyl)-2-iodo-4-methoxybenzene
CID 172675013
CID 91868783
CID 91868783
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole
CID 70133656
5-fluoro-2-isocyanato-1-(3-methoxyphenyl)-3-propan-2-ylbenzene
CID 155313315
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene?
The IUPAC name of 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene (CID 141399612) is 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene.
What is the SMILES notation for 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene?
The canonical SMILES for 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene is COc1cccc(-c2cc(F)ccc2Sc2ccc(F)cc2-c2cccc(OC)c2)c1.
What is the InChIKey of 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene?
The InChIKey is ZJTYNERJIDTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2O2S/c1-29-21-7-3-5-17(13-21)23-15-19(27)9-11-25(23)31-26-12-10-20(28)16-24(26)18-6-4-8-22(14-18)30-2/h3-16H,1-2H3.
What are the key properties of 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene?
4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene has a molecular weight of 434.51 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene is sourced from PubChem (CID 141399612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).