4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

C16H19F3O2 — CID 102163966

IUPAC4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCOC1CC(c2ccc(C)cc2C)C=C(C(F)(F)F)O1
InChIInChI=1S/C16H19F3O2/c1-4-20-15-9-12(8-14(21-15)16(17,18)19)13-6-5-10(2)7-11(13)3/h5-8,12,15H,4,9H2,1-3H3
InChIKeyZIAHGFGWJUWTFZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.62
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 102163966) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID102163966
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCOC1CC(c2ccc(C)cc2C)C=C(C(F)(F)F)O1
InChIInChI=1S/C16H19F3O2/c1-4-20-15-9-12(8-14(21-15)16(17,18)19)13-6-5-10(2)7-11(13)3/h5-8,12,15H,4,9H2,1-3H3
InChIKeyZIAHGFGWJUWTFZ-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclamen aldehyde diethyl acetal
CID 23534
2H-Pyran, 2-butoxy-3,4-dihydro-4-phenyl-
CID 101645
1-(4,4-Diethoxy-1,1-difluorobutyl)-3-(trifluoromethyl)benzene
CID 134960944
1-(4,4-Diethoxybutyl)-3,5-bis(trifluoromethyl)benzene
CID 135061838
(2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran
CID 10835979
2-[trans-4-(3,4-Difluorophenyl)cyclohexyl]-5-butyl-1,3-dioxane
CID 15095219
2-[4-(3,4-Difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
CID 15114006
2-[4-[4-[2-(4-Ethyl-3-fluorophenyl)-1,1-difluoroethyl]cyclohexyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 18344195
5-Ethyl-2-[2-[4-(4-ethyl-3-fluorophenyl)phenyl]-1,1-difluoroethyl]-1,3-dioxane
CID 18344461
2-[2-(2-Fluoro-4-propylphenyl)ethyl]-5-pentyl-1,3-dioxane
CID 20162293
2-[2-(4-Ethyl-2-fluorophenyl)ethyl]-5-pentyl-1,3-dioxane
CID 20162380
2-[4-(3,4-Difluorophenyl)cyclohexyl]-5-methyl-1,3-dioxane
CID 20591345

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 102163966) is 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is CCOC1CC(c2ccc(C)cc2C)C=C(C(F)(F)F)O1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is ZIAHGFGWJUWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c1-4-20-15-9-12(8-14(21-15)16(17,18)19)13-6-5-10(2)7-11(13)3/h5-8,12,15H,4,9H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 300.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 102163966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).