1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol

C32H34F6O2 — CID 88857808

About 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol

1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol (PubChem CID 88857808) has the molecular formula C32H34F6O2 and a molecular weight of 564.61 g/mol. Its IUPAC name is 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol
• PubChem CID: 88857808
• Molecular Formula: C32H34F6O2
• Molecular Weight: 564.61 g/mol
• Exact Mass: 564.25
• IUPAC Name: 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol
• SMILES: CCCC(O)c1ccc(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F
• InChI: InChI=1S/C32H34F6O2/c1-3-5-25(39)24-15-14-21(28(34)31(24)37)19-9-6-18(7-10-19)8-11-20-12-13-22(29(35)27(20)33)23-16-17-26(40-4-2)32(38)30(23)36/h12-19,25,39H,3-11H2,1-2H3
• InChIKey: GBLVIBURSOLMHO-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.61
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol?

The IUPAC name of 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol (CID 88857808) is 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol.

What is the SMILES notation for 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol?

The canonical SMILES for 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol is CCCC(O)c1ccc(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F.

What is the InChIKey of 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol?

The InChIKey is GBLVIBURSOLMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F6O2/c1-3-5-25(39)24-15-14-21(28(34)31(24)37)19-9-6-18(7-10-19)8-11-20-12-13-22(29(35)27(20)33)23-16-17-26(40-4-2)32(38)30(23)36/h12-19,25,39H,3-11H2,1-2H3.

What are the key properties of 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol?

1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol has a molecular weight of 564.61 g/mol, XLogP of 9.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorophenyl]butan-1-ol is sourced from PubChem (CID 88857808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).