1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

C34H36F4O — CID 67739856

About 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 67739856) has the molecular formula C34H36F4O and a molecular weight of 536.65 g/mol. Its IUPAC name is 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

• Compound Name: 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
• PubChem CID: 67739856
• Molecular Formula: C34H36F4O
• Molecular Weight: 536.65 g/mol
• Exact Mass: 536.27
• IUPAC Name: 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
• SMILES: CCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)c(F)c3F)CC2)CC1
• InChI: InChI=1S/C34H36F4O/c1-3-4-21-5-7-22(8-6-21)23-9-11-24(12-10-23)27-17-18-28(32(36)31(27)35)25-13-15-26(16-14-25)29-19-20-30(39-2)34(38)33(29)37/h11,13-23H,3-10,12H2,1-2H3
• InChIKey: SXXJWBZERPFYKM-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.65
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?

The IUPAC name of 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (CID 67739856) is 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.

What is the SMILES notation for 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?

The canonical SMILES for 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is CCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)c(F)c3F)CC2)CC1.

What is the InChIKey of 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?

The InChIKey is SXXJWBZERPFYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F4O/c1-3-4-21-5-7-22(8-6-21)23-9-11-24(12-10-23)27-17-18-28(32(36)31(27)35)25-13-15-26(16-14-25)29-19-20-30(39-2)34(38)33(29)37/h11,13-23H,3-10,12H2,1-2H3.

What are the key properties of 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?

1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 536.65 g/mol, XLogP of 10.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 67739856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).