1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene

C30H30F4O — CID 67748684

About 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene

1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene (PubChem CID 67748684) has the molecular formula C30H30F4O and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene.

Molecular Properties

• Compound Name: 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene
• PubChem CID: 67748684
• Molecular Formula: C30H30F4O
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.22
• IUPAC Name: 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene
• SMILES: CC/C=C/COc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1F
• InChI: InChI=1S/C30H30F4O/c1-3-4-5-18-35-26-17-16-25(29(33)30(26)34)22-12-10-21(11-13-22)24-15-14-23(27(31)28(24)32)20-8-6-19(2)7-9-20/h4-5,10-17,19-20H,3,6-9,18H2,1-2H3/b5-4+
• InChIKey: XVJBVQARFKHRHC-SNAWJCMRSA-N
• XLogP: 9.22
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene?

The IUPAC name of 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene (CID 67748684) is 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene.

What is the SMILES notation for 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene?

The canonical SMILES for 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene is CC/C=C/COc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1F.

What is the InChIKey of 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene?

The InChIKey is XVJBVQARFKHRHC-SNAWJCMRSA-N. The full InChI is InChI=1S/C30H30F4O/c1-3-4-5-18-35-26-17-16-25(29(33)30(26)34)22-12-10-21(11-13-22)24-15-14-23(27(31)28(24)32)20-8-6-19(2)7-9-20/h4-5,10-17,19-20H,3,6-9,18H2,1-2H3/b5-4+.

What are the key properties of 1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene?

1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene has a molecular weight of 482.56 g/mol, XLogP of 9.22, 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-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene is sourced from PubChem (CID 67748684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).