2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane

C18H24F2O2 — CID 176777875

IUPAC2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane
SMILESC/C=C/CCC1CCC(c2ccc(OCC)c(F)c2F)OC1
InChIInChI=1S/C18H24F2O2/c1-3-5-6-7-13-8-10-15(22-12-13)14-9-11-16(21-4-2)18(20)17(14)19/h3,5,9,11,13,15H,4,6-8,10,12H2,1-2H3/b5-3+
InChIKeyRFUWRZFDSNZYGH-HWKANZROSA-N
MW310.38 g/mol
LogP5.19
Rot. Bonds6

About 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane

2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane (PubChem CID 176777875) has the molecular formula C18H24F2O2 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane
PubChem CID176777875
Molecular FormulaC18H24F2O2
Molecular Weight310.38 g/mol
Exact Mass310.17
IUPAC Name2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane
SMILESC/C=C/CCC1CCC(c2ccc(OCC)c(F)c2F)OC1
InChIInChI=1S/C18H24F2O2/c1-3-5-6-7-13-8-10-15(22-12-13)14-9-11-16(21-4-2)18(20)17(14)19/h3,5,9,11,13,15H,4,6-8,10,12H2,1-2H3/b5-3+
InChIKeyRFUWRZFDSNZYGH-HWKANZROSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,3-difluoro-4-[[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]methoxy]phenyl]oxirane
CID 89276327
5-but-3-enyl-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67733051
1-ethoxy-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 160550252
2-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]phenyl]-5-[(E)-pent-3-enyl]oxane
CID 58021328
2-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-3-enyl]oxane
CID 58021362
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
5-but-3-enyl-2-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67733057
5-[6-(difluoromethylidene)-11-[6-(2,3-difluoro-4-methylphenyl)oxan-3-yl]undecyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane
CID 134273710
5-[4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 58021312
5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane
CID 118316616
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 67734972
5-but-3-enyl-2-[4-[4-(2,3-difluoro-4-nonoxyphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67732931

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane?
The IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane (CID 176777875) is 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane.
What is the SMILES notation for 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane?
The canonical SMILES for 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane is C/C=C/CCC1CCC(c2ccc(OCC)c(F)c2F)OC1.
What is the InChIKey of 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane?
The InChIKey is RFUWRZFDSNZYGH-HWKANZROSA-N. The full InChI is InChI=1S/C18H24F2O2/c1-3-5-6-7-13-8-10-15(22-12-13)14-9-11-16(21-4-2)18(20)17(14)19/h3,5,9,11,13,15H,4,6-8,10,12H2,1-2H3/b5-3+.
What are the key properties of 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane?
2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane has a molecular weight of 310.38 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane is sourced from PubChem (CID 176777875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).