4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol

C34H36F6O2 — CID 88893763

About 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol

4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol (PubChem CID 88893763) has the molecular formula C34H36F6O2 and a molecular weight of 590.65 g/mol. Its IUPAC name is 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol.

Molecular Properties

• Compound Name: 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol
• PubChem CID: 88893763
• Molecular Formula: C34H36F6O2
• Molecular Weight: 590.65 g/mol
• Exact Mass: 590.26
• IUPAC Name: 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol
• SMILES: CCOc1ccc(C2CCC(C3CCC(CCc4ccc(-c5ccc(O)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F
• InChI: InChI=1S/C34H36F6O2/c1-2-42-28-18-16-24(30(36)34(28)40)22-11-9-21(10-12-22)20-6-3-19(4-7-20)5-8-23-13-14-25(31(37)29(23)35)26-15-17-27(41)33(39)32(26)38/h13-22,41H,2-12H2,1H3
• InChIKey: NARIFEGFDSUZGV-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.65
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol (CID 88893763) is 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol.

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

The canonical SMILES for 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol is CCOc1ccc(C2CCC(C3CCC(CCc4ccc(-c5ccc(O)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F.

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

The InChIKey is NARIFEGFDSUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F6O2/c1-2-42-28-18-16-24(30(36)34(28)40)22-11-9-21(10-12-22)20-6-3-19(4-7-20)5-8-23-13-14-25(31(37)29(23)35)26-15-17-27(41)33(39)32(26)38/h13-22,41H,2-12H2,1H3.

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

4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol has a molecular weight of 590.65 g/mol, XLogP of 10.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol is sourced from PubChem (CID 88893763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).