2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene

C27H26F4O — CID 145013180

IUPAC2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCc1c(F)cc(OCc2c(F)cc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1F
InChIInChI=1S/C27H26F4O/c1-16-3-5-18(6-4-16)19-7-9-20(10-8-19)21-11-26(30)23(27(31)12-21)15-32-22-13-24(28)17(2)25(29)14-22/h7-14,16,18H,3-6,15H2,1-2H3
InChIKeyNUOCXBVZINXABO-UHFFFAOYSA-N
MW442.50 g/mol
LogP8.09
Rot. Bonds5

About 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene

2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 145013180) has the molecular formula C27H26F4O and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID145013180
Molecular FormulaC27H26F4O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCc1c(F)cc(OCc2c(F)cc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1F
InChIInChI=1S/C27H26F4O/c1-16-3-5-18(6-4-16)19-7-9-20(10-8-19)21-11-26(30)23(27(31)12-21)15-32-22-13-24(28)17(2)25(29)14-22/h7-14,16,18H,3-6,15H2,1-2H3
InChIKeyNUOCXBVZINXABO-UHFFFAOYSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene with MolForge

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Related Compounds

1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane
CID 123233909
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 126651890
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563
1,3-difluoro-5-(4-methylphenyl)-2-[3-[4-(4-pentoxyphenyl)cyclohexyl]oxypropoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 91318922

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene (CID 145013180) is 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene is Cc1c(F)cc(OCc2c(F)cc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1F.
What is the InChIKey of 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is NUOCXBVZINXABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4O/c1-16-3-5-18(6-4-16)19-7-9-20(10-8-19)21-11-26(30)23(27(31)12-21)15-32-22-13-24(28)17(2)25(29)14-22/h7-14,16,18H,3-6,15H2,1-2H3.
What are the key properties of 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene?
2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 442.50 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 145013180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).