5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran

C18H24F2O2 — CID 122479941

IUPAC5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran
SMILESCCCC1CC=C(CCc2ccc(OCC)c(F)c2F)CO1
InChIInChI=1S/C18H24F2O2/c1-3-5-15-10-7-13(12-22-15)6-8-14-9-11-16(21-4-2)18(20)17(14)19/h7,9,11,15H,3-6,8,10,12H2,1-2H3
InChIKeyIDPHZHCOCIUJSJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.81
Rot. Bonds7

About 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran

5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran (PubChem CID 122479941) has the molecular formula C18H24F2O2 and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran
PubChem CID122479941
Molecular FormulaC18H24F2O2
Molecular Weight310.38 g/mol
Exact Mass310.17
IUPAC Name5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran
SMILESCCCC1CC=C(CCc2ccc(OCC)c(F)c2F)CO1
InChIInChI=1S/C18H24F2O2/c1-3-5-15-10-7-13(12-22-15)6-8-14-9-11-16(21-4-2)18(20)17(14)19/h7,9,11,15H,3-6,8,10,12H2,1-2H3
InChIKeyIDPHZHCOCIUJSJ-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.81
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

5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535845
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran
CID 122480114
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583672
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172
1-[2-(2,3-difluoro-4-pentoxyphenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643372
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
CID 58535630
2-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-5-(5-propyloxan-2-yl)oxane
CID 58535519
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856330
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran?
The IUPAC name of 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran (CID 122479941) is 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran is CCCC1CC=C(CCc2ccc(OCC)c(F)c2F)CO1.
What is the InChIKey of 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran?
The InChIKey is IDPHZHCOCIUJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O2/c1-3-5-15-10-7-13(12-22-15)6-8-14-9-11-16(21-4-2)18(20)17(14)19/h7,9,11,15H,3-6,8,10,12H2,1-2H3.
What are the key properties of 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran?
5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran has a molecular weight of 310.38 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122479941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).