1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene

C20H17FOS — CID 134849369

IUPAC1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
SMILESCOc1ccc(S[C@H](c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FOS/c1-22-18-11-13-19(14-12-18)23-20(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-14,20H,1H3/t20-/m1/s1
InChIKeyMNUGVMZJQLGGDJ-HXUWFJFHSA-N
MW324.42 g/mol
LogP5.72
Rot. Bonds5

About 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene

1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene (PubChem CID 134849369) has the molecular formula C20H17FOS and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
PubChem CID134849369
Molecular FormulaC20H17FOS
Molecular Weight324.42 g/mol
Exact Mass324.10
IUPAC Name1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
SMILESCOc1ccc(S[C@H](c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FOS/c1-22-18-11-13-19(14-12-18)23-20(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-14,20H,1H3/t20-/m1/s1
InChIKeyMNUGVMZJQLGGDJ-HXUWFJFHSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.72
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
3-Methoxy-4'-methylthio-trans-stilbene
CID 70695190
Bis (4-methylphenyl)-
CID 140202473
1,2-Dimethoxy-4-[phenyl(phenylsulfanyl)methyl]benzene
CID 3697241
1-methoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70682593
4-(4-Fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 23723150
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-(2-(4-(methylsulfonyl)phenyl)-1-phenylhex-1-enyl)benzene
CID 49864410
1-methoxy-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70695191
1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-2-(trifluoromethyl)benzene
CID 72188761

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene?
The IUPAC name of 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene (CID 134849369) is 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene is COc1ccc(S[C@H](c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene?
The InChIKey is MNUGVMZJQLGGDJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17FOS/c1-22-18-11-13-19(14-12-18)23-20(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-14,20H,1H3/t20-/m1/s1.
What are the key properties of 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene?
1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene has a molecular weight of 324.42 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene is sourced from PubChem (CID 134849369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).