1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene

C29H34F4O — CID 20705586

About 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene

1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene (PubChem CID 20705586) has the molecular formula C29H34F4O and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene.

Molecular Properties

• Compound Name: 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
• PubChem CID: 20705586
• Molecular Formula: C29H34F4O
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.25
• IUPAC Name: 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
• SMILES: Cc1ccc(OC(F)(F)c2ccc(/C=C/C3CCC(C4CCC(C)CC4)CC3)cc2)c(F)c1F
• InChI: InChI=1S/C29H34F4O/c1-19-3-12-23(13-4-19)24-14-8-21(9-15-24)6-7-22-10-16-25(17-11-22)29(32,33)34-26-18-5-20(2)27(30)28(26)31/h5-7,10-11,16-19,21,23-24H,3-4,8-9,12-15H2,1-2H3/b7-6+
• InChIKey: DJGHZUQULNPOBT-VOTSOKGWSA-N
• XLogP: 9.05
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?

The IUPAC name of 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene (CID 20705586) is 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene.

What is the SMILES notation for 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?

The canonical SMILES for 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene is Cc1ccc(OC(F)(F)c2ccc(/C=C/C3CCC(C4CCC(C)CC4)CC3)cc2)c(F)c1F.

What is the InChIKey of 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?

The InChIKey is DJGHZUQULNPOBT-VOTSOKGWSA-N. The full InChI is InChI=1S/C29H34F4O/c1-19-3-12-23(13-4-19)24-14-8-21(9-15-24)6-7-22-10-16-25(17-11-22)29(32,33)34-26-18-5-20(2)27(30)28(26)31/h5-7,10-11,16-19,21,23-24H,3-4,8-9,12-15H2,1-2H3/b7-6+.

What are the key properties of 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?

1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene has a molecular weight of 474.58 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 20705586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).