2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane

C23H29FO2 — CID 118593992

IUPAC2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane
SMILESCCCC1(F)COC(CCc2ccc(-c3ccc(CC)cc3)cc2)OC1
InChIInChI=1S/C23H29FO2/c1-3-15-23(24)16-25-22(26-17-23)14-9-19-7-12-21(13-8-19)20-10-5-18(4-2)6-11-20/h5-8,10-13,22H,3-4,9,14-17H2,1-2H3
InChIKeyXFMLVXIVRAEXDI-UHFFFAOYSA-N
MW356.48 g/mol
LogP5.73
Rot. Bonds7

About 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane

2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane (PubChem CID 118593992) has the molecular formula C23H29FO2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane
PubChem CID118593992
Molecular FormulaC23H29FO2
Molecular Weight356.48 g/mol
Exact Mass356.22
IUPAC Name2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane
SMILESCCCC1(F)COC(CCc2ccc(-c3ccc(CC)cc3)cc2)OC1
InChIInChI=1S/C23H29FO2/c1-3-15-23(24)16-25-22(26-17-23)14-9-19-7-12-21(13-8-19)20-10-5-18(4-2)6-11-20/h5-8,10-13,22H,3-4,9,14-17H2,1-2H3
InChIKeyXFMLVXIVRAEXDI-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.48
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-[4-(4-butylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594242
(4-propylphenyl) 4-[2-(5-fluoro-5-propyl-1,3-dioxan-2-yl)ethyl]cyclohexane-1-carboxylate
CID 118594091
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
2-[4-[(E)-2-(4-ethylphenyl)ethenyl]cyclohexen-1-yl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594067
5-ethyl-2-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-1,3-dioxane
CID 166662193
2-[2-[4-[4-[bromo(difluoro)methyl]-3,5-difluorophenyl]phenyl]ethyl]-5-propyl-1,3-dioxane
CID 20653778
2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane
CID 155139396
2-[2-(4-chlorophenyl)ethyl]-5-pentyl-1,3-dioxane
CID 20656665
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
N'-[4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]phenyl]-N-hydroxymethanimidamide
CID 58586116

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane?
The IUPAC name of 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane (CID 118593992) is 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane is CCCC1(F)COC(CCc2ccc(-c3ccc(CC)cc3)cc2)OC1.
What is the InChIKey of 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane?
The InChIKey is XFMLVXIVRAEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO2/c1-3-15-23(24)16-25-22(26-17-23)14-9-19-7-12-21(13-8-19)20-10-5-18(4-2)6-11-20/h5-8,10-13,22H,3-4,9,14-17H2,1-2H3.
What are the key properties of 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane?
2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane has a molecular weight of 356.48 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-fluoro-5-propyl-1,3-dioxane is sourced from PubChem (CID 118593992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).