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

C23H24F4O3 — CID 118583592

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

3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran (PubChem CID 118583592) has the molecular formula C23H24F4O3 and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran
• PubChem CID: 118583592
• Molecular Formula: C23H24F4O3
• Molecular Weight: 424.43 g/mol
• Exact Mass: 424.17
• IUPAC Name: 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran
• SMILES: CCCC1=CCC(c2ccc(COc3ccc(OCC)c(F)c3F)c(F)c2F)CO1
• InChI: InChI=1S/C23H24F4O3/c1-3-5-16-8-6-14(12-29-16)17-9-7-15(20(24)21(17)25)13-30-19-11-10-18(28-4-2)22(26)23(19)27/h7-11,14H,3-6,12-13H2,1-2H3
• InChIKey: UBEUIUXPNZQACF-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.43
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran?

The IUPAC name of 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran (CID 118583592) is 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran.

What is the SMILES notation for 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran?

The canonical SMILES for 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran is CCCC1=CCC(c2ccc(COc3ccc(OCC)c(F)c3F)c(F)c2F)CO1.

What is the InChIKey of 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran?

The InChIKey is UBEUIUXPNZQACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4O3/c1-3-5-16-8-6-14(12-29-16)17-9-7-15(20(24)21(17)25)13-30-19-11-10-18(28-4-2)22(26)23(19)27/h7-11,14H,3-6,12-13H2,1-2H3.

What are the key properties of 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran?

3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran has a molecular weight of 424.43 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).