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

C21H24F2O — CID 118908560

IUPAC1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
SMILESCc1c(F)cc(OCc2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C21H24F2O/c1-14-3-7-17(8-4-14)18-9-5-16(6-10-18)13-24-19-11-20(22)15(2)21(23)12-19/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3
InChIKeyUKTOCUSNJXGTOX-UHFFFAOYSA-N
MW330.42 g/mol
LogP6.15
Rot. Bonds4

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

1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene (PubChem CID 118908560) has the molecular formula C21H24F2O and a molecular weight of 330.42 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
PubChem CID118908560
Molecular FormulaC21H24F2O
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
SMILESCc1c(F)cc(OCc2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C21H24F2O/c1-14-3-7-17(8-4-14)18-9-5-16(6-10-18)13-24-19-11-20(22)15(2)21(23)12-19/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3
InChIKeyUKTOCUSNJXGTOX-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145013180
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1,3-difluoro-5-[[4-(4-propylcyclohexyl)phenyl]methoxy]-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247487
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 126651890
4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
CID 67799683
1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
CID 67797912
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;methane
CID 161455344

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
The IUPAC name of 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene (CID 118908560) is 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
The canonical SMILES for 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene is Cc1c(F)cc(OCc2ccc(C3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
The InChIKey is UKTOCUSNJXGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2O/c1-14-3-7-17(8-4-14)18-9-5-16(6-10-18)13-24-19-11-20(22)15(2)21(23)12-19/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene has a molecular weight of 330.42 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene is sourced from PubChem (CID 118908560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).