1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene

C19H29FO — CID 118312086

IUPAC1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCC)c(CC)c2F)CC1
InChIInChI=1S/C19H29FO/c1-4-7-14-8-10-15(11-9-14)17-12-13-18(21-6-3)16(5-2)19(17)20/h12-15H,4-11H2,1-3H3
InChIKeyYKAOKRCIFFNRIS-UHFFFAOYSA-N
MW292.44 g/mol
LogP5.86
Rot. Bonds6

About 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene

1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene (PubChem CID 118312086) has the molecular formula C19H29FO and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
PubChem CID118312086
Molecular FormulaC19H29FO
Molecular Weight292.44 g/mol
Exact Mass292.22
IUPAC Name1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCC)c(CC)c2F)CC1
InChIInChI=1S/C19H29FO/c1-4-7-14-8-10-15(11-9-14)17-12-13-18(21-6-3)16(5-2)19(17)20/h12-15H,4-11H2,1-3H3
InChIKeyYKAOKRCIFFNRIS-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161445027
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 123313096
CID 19428880
CID 19428880
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene
CID 175392353
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 130261244

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene (CID 118312086) is 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCC)c(CC)c2F)CC1.
What is the InChIKey of 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene?
The InChIKey is YKAOKRCIFFNRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FO/c1-4-7-14-8-10-15(11-9-14)17-12-13-18(21-6-3)16(5-2)19(17)20/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene?
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene has a molecular weight of 292.44 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 118312086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).