1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene

C15H13FOS — CID 162407529

IUPAC1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene
SMILESCOc1ccc(S/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FOS/c1-17-14-6-8-15(9-7-14)18-11-10-12-2-4-13(16)5-3-12/h2-11H,1H3/b11-10+
InChIKeyGFLWXGHZEYWFFU-ZHACJKMWSA-N
MW260.33 g/mol
LogP4.60
Rot. Bonds4

About 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene

1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene (PubChem CID 162407529) has the molecular formula C15H13FOS and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene
PubChem CID162407529
Molecular FormulaC15H13FOS
Molecular Weight260.33 g/mol
Exact Mass260.07
IUPAC Name1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene
SMILESCOc1ccc(S/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FOS/c1-17-14-6-8-15(9-7-14)18-11-10-12-2-4-13(16)5-3-12/h2-11H,1H3/b11-10+
InChIKeyGFLWXGHZEYWFFU-ZHACJKMWSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-4-(methylthio)benzene
CID 15885
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
2-(Methylthiomethyl)anisole
CID 4090566
4-(Methylthiomethyl)anisole
CID 5152827
Bis (4-methylphenyl)-
CID 140202473
2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile
CID 621198
1-methoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70682593
1-Methoxy-4-[3-[(4-methoxyphenyl)methyldisulfanyl]prop-2-enylsulfanylmethyl]benzene
CID 70687330
(Trifluoromethyl)(4-((4-((trifluoromethyl)thio)benzyl)oxy)phenyl)sulfane
CID 145991728
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
CID 9948470

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene (CID 162407529) is 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene is COc1ccc(S/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene?
The InChIKey is GFLWXGHZEYWFFU-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13FOS/c1-17-14-6-8-15(9-7-14)18-11-10-12-2-4-13(16)5-3-12/h2-11H,1H3/b11-10+.
What are the key properties of 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene?
1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene has a molecular weight of 260.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]benzene is sourced from PubChem (CID 162407529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).