5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane

C30H30F6O2 — CID 58535845

About 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane

5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane (PubChem CID 58535845) has the molecular formula C30H30F6O2 and a molecular weight of 536.56 g/mol. Its IUPAC name is 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane.

Molecular Properties

• Compound Name: 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
• PubChem CID: 58535845
• Molecular Formula: C30H30F6O2
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.21
• IUPAC Name: 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
• SMILES: CCCC1CCC(c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)c(F)c3F)c(F)c2F)CO1
• InChI: InChI=1S/C30H30F6O2/c1-3-5-20-11-8-19(16-38-20)21-13-14-23(29(35)27(21)33)22-12-9-17(25(31)28(22)34)6-7-18-10-15-24(37-4-2)30(36)26(18)32/h9-10,12-15,19-20H,3-8,11,16H2,1-2H3
• InChIKey: YNTKCHFZUBMEGS-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?

The IUPAC name of 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane (CID 58535845) is 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane.

What is the SMILES notation for 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?

The canonical SMILES for 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane is CCCC1CCC(c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)c(F)c3F)c(F)c2F)CO1.

What is the InChIKey of 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?

The InChIKey is YNTKCHFZUBMEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F6O2/c1-3-5-20-11-8-19(16-38-20)21-13-14-23(29(35)27(21)33)22-12-9-17(25(31)28(22)34)6-7-18-10-15-24(37-4-2)30(36)26(18)32/h9-10,12-15,19-20H,3-8,11,16H2,1-2H3.

What are the key properties of 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?

5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane has a molecular weight of 536.56 g/mol, XLogP of 8.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane is sourced from PubChem (CID 58535845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).