1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene

C23H21F3O2 — CID 58140954

IUPAC1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(OCc3ccc(CC)c(F)c3F)cc2)cc1F
InChIInChI=1S/C23H21F3O2/c1-3-15-5-6-18(23(26)22(15)25)14-28-19-10-7-16(8-11-19)17-9-12-21(27-4-2)20(24)13-17/h5-13H,3-4,14H2,1-2H3
InChIKeyGFBKERYANQAXBY-UHFFFAOYSA-N
MW386.41 g/mol
LogP6.31
Rot. Bonds7

About 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene

1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 58140954) has the molecular formula C23H21F3O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
PubChem CID58140954
Molecular FormulaC23H21F3O2
Molecular Weight386.41 g/mol
Exact Mass386.15
IUPAC Name1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(OCc3ccc(CC)c(F)c3F)cc2)cc1F
InChIInChI=1S/C23H21F3O2/c1-3-15-5-6-18(23(26)22(15)25)14-28-19-10-7-16(8-11-19)17-9-12-21(27-4-2)20(24)13-17/h5-13H,3-4,14H2,1-2H3
InChIKeyGFBKERYANQAXBY-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
CID 70961305
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69031311
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437
1-ethoxy-4-[4-[(4-ethyl-3-fluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 58141772
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429667
[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
CID 76658350
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
1-[2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429787
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene (CID 58140954) is 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene is CCOc1ccc(-c2ccc(OCc3ccc(CC)c(F)c3F)cc2)cc1F.
What is the InChIKey of 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene?
The InChIKey is GFBKERYANQAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O2/c1-3-15-5-6-18(23(26)22(15)25)14-28-19-10-7-16(8-11-19)17-9-12-21(27-4-2)20(24)13-17/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene?
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 386.41 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 58140954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).