1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene

C14H12ClFOS — CID 59378216

IUPAC1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
SMILESCOc1c(SC)cc(F)cc1-c1ccccc1Cl
InChIInChI=1S/C14H12ClFOS/c1-17-14-11(7-9(16)8-13(14)18-2)10-5-3-4-6-12(10)15/h3-8H,1-2H3
InChIKeyZQHJJRYQTKVJOG-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.88
Rot. Bonds3

About 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene

1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene (PubChem CID 59378216) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
PubChem CID59378216
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
SMILESCOc1c(SC)cc(F)cc1-c1ccccc1Cl
InChIInChI=1S/C14H12ClFOS/c1-17-14-11(7-9(16)8-13(14)18-2)10-5-3-4-6-12(10)15/h3-8H,1-2H3
InChIKeyZQHJJRYQTKVJOG-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nrf2-Activator-12G
CID 73053707
[3-Chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168269374
Vinyl sulfone derivative 1
CID 146381277
2-Fluorophenyl 2-methoxy-3-(1-chloroethyl)phenyl thioether
CID 20513414
5-Fluoro-2-methoxy-1-methylsulfanyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 59378212
[7-(2,6-Dichloro-phenyl)-5-fluoro-benzo[1,3]oxathiol-2-yl]methanol
CID 59378213
2',6'-Dichloro-5-fluoro-3-methylsulfanyl-biphenyl-2-ol
CID 59378215
2-(2-Chlorophenyl)-4-fluoro-6-methylsulfanylphenol
CID 59378217
[8-(2-Chlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol
CID 59378223
2',6'-Dichloro-5-fluoro-2-methoxy-3-methylsulfanyl-biphenyl
CID 59378225
5-Fluoro-2-methoxy-2'-chloro-biphenyl
CID 59378243
2-Chloro-1-(5-fluoro-2-methoxybenzyl)-3-(methylsulfonyl)benzene
CID 67108404

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
The IUPAC name of 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene (CID 59378216) is 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene.
What is the SMILES notation for 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
The canonical SMILES for 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene is COc1c(SC)cc(F)cc1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
The InChIKey is ZQHJJRYQTKVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-17-14-11(7-9(16)8-13(14)18-2)10-5-3-4-6-12(10)15/h3-8H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene has a molecular weight of 282.77 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene is sourced from PubChem (CID 59378216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).