2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene

C13H19FO2S — CID 164896097

IUPAC2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene
SMILESCCOc1c(OCC(C)C)cc(F)cc1SC
InChIInChI=1S/C13H19FO2S/c1-5-15-13-11(16-8-9(2)3)6-10(14)7-12(13)17-4/h6-7,9H,5,8H2,1-4H3
InChIKeyZDUXNHHFVGLJLM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.98
Rot. Bonds6

About 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene

2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene (PubChem CID 164896097) has the molecular formula C13H19FO2S and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene.

Molecular Properties

Compound Name2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene
PubChem CID164896097
Molecular FormulaC13H19FO2S
Molecular Weight258.36 g/mol
Exact Mass258.11
IUPAC Name2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene
SMILESCCOc1c(OCC(C)C)cc(F)cc1SC
InChIInChI=1S/C13H19FO2S/c1-5-15-13-11(16-8-9(2)3)6-10(14)7-12(13)17-4/h6-7,9H,5,8H2,1-4H3
InChIKeyZDUXNHHFVGLJLM-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diethoxy-5-fluoro-3-iodobenzene
CID 164896082
2-(3,4-diethoxy-5-methylsulfanylphenyl)ethanamine;hydrochloride
CID 86250350
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
2-chloro-5-ethoxy-4-(2-methylpropoxy)benzonitrile
CID 100586525
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene?
The IUPAC name of 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene (CID 164896097) is 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene.
What is the SMILES notation for 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene?
The canonical SMILES for 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene is CCOc1c(OCC(C)C)cc(F)cc1SC.
What is the InChIKey of 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene?
The InChIKey is ZDUXNHHFVGLJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2S/c1-5-15-13-11(16-8-9(2)3)6-10(14)7-12(13)17-4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene?
2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene has a molecular weight of 258.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene is sourced from PubChem (CID 164896097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).