1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene

C20H16F2OS — CID 134849133

IUPAC1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene
SMILESCOc1ccc(SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16F2OS/c1-23-18-10-12-19(13-11-18)24-20(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-13,20H,1H3
InChIKeyCJBWBCLEOKEZAT-UHFFFAOYSA-N
MW342.41 g/mol
LogP5.86
Rot. Bonds5

About 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene

1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene (PubChem CID 134849133) has the molecular formula C20H16F2OS and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene
PubChem CID134849133
Molecular FormulaC20H16F2OS
Molecular Weight342.41 g/mol
Exact Mass342.09
IUPAC Name1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene
SMILESCOc1ccc(SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16F2OS/c1-23-18-10-12-19(13-11-18)24-20(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-13,20H,1H3
InChIKeyCJBWBCLEOKEZAT-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
1-Iodo-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 65489349
Bis (4-methylphenyl)-
CID 140202473
3-(4-Methoxy-benzenesulfonyl)-3-phenyl-propane-1-thiol
CID 19366819
Benzene, 1-fluoro-4-((2-(4-((1-methylethyl)thio)phenyl)-2-methylpropoxy)methyl)-2-phenoxy-
CID 3068494
1-methoxy-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70695191
1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-2-(trifluoromethyl)benzene
CID 72188761
1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-3-(trifluoromethyl)benzene
CID 72188762
1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-4-(trifluoromethyl)benzene
CID 72188763
1-[(E)-2-(4-methoxyphenyl)sulfinylethenyl]-2-(trifluoromethyl)benzene
CID 72193347
1-fluoro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72193351
1-fluoro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72193352

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene?
The IUPAC name of 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene (CID 134849133) is 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene?
The canonical SMILES for 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene is COc1ccc(SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene?
The InChIKey is CJBWBCLEOKEZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2OS/c1-23-18-10-12-19(13-11-18)24-20(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-13,20H,1H3.
What are the key properties of 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene?
1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene has a molecular weight of 342.41 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene is sourced from PubChem (CID 134849133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).