4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene

C15H23FO — CID 107171247

IUPAC4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
SMILESCCCCC(CC)COc1ccc(C)c(F)c1
InChIInChI=1S/C15H23FO/c1-4-6-7-13(5-2)11-17-14-9-8-12(3)15(16)10-14/h8-10,13H,4-7,11H2,1-3H3
InChIKeyQAWJLYLQNVJTKN-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.73
Rot. Bonds7

About 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene

4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene (PubChem CID 107171247) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
PubChem CID107171247
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
SMILESCCCCC(CC)COc1ccc(C)c(F)c1
InChIInChI=1S/C15H23FO/c1-4-6-7-13(5-2)11-17-14-9-8-12(3)15(16)10-14/h8-10,13H,4-7,11H2,1-3H3
InChIKeyQAWJLYLQNVJTKN-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
CID 174926465
CID 174926465
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83137393
4-(2-bromo-3,3,3-trifluoropropoxy)-2-fluoro-1-methylbenzene
CID 107169098
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene?
The IUPAC name of 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene (CID 107171247) is 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene is CCCCC(CC)COc1ccc(C)c(F)c1.
What is the InChIKey of 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene?
The InChIKey is QAWJLYLQNVJTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-4-6-7-13(5-2)11-17-14-9-8-12(3)15(16)10-14/h8-10,13H,4-7,11H2,1-3H3.
What are the key properties of 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene?
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene has a molecular weight of 238.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene is sourced from PubChem (CID 107171247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).