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

C21H18F2O — CID 118908563

IUPAC1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
SMILESCc1ccc(-c2ccc(COc3cc(F)c(C)c(F)c3)cc2)cc1
InChIInChI=1S/C21H18F2O/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/h3-12H,13H2,1-2H3
InChIKeyWYVRHZKZLORSEG-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.83
Rot. Bonds4

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

1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene (PubChem CID 118908563) has the molecular formula C21H18F2O and a molecular weight of 324.37 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
PubChem CID118908563
Molecular FormulaC21H18F2O
Molecular Weight324.37 g/mol
Exact Mass324.13
IUPAC Name1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
SMILESCc1ccc(-c2ccc(COc3cc(F)c(C)c(F)c3)cc2)cc1
InChIInChI=1S/C21H18F2O/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/h3-12H,13H2,1-2H3
InChIKeyWYVRHZKZLORSEG-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 65202804
1,3-difluoro-2-isothiocyanato-5-[4-[(4-methylphenyl)methoxy]phenyl]benzene
CID 163880943
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;methane
CID 158963086
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
[3-fluoro-5-[(4-methylphenyl)methoxy]phenyl]boronic acid
CID 81332002
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
CID 143727087

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene?
The IUPAC name of 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene (CID 118908563) is 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene?
The canonical SMILES for 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene is Cc1ccc(-c2ccc(COc3cc(F)c(C)c(F)c3)cc2)cc1.
What is the InChIKey of 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene?
The InChIKey is WYVRHZKZLORSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2O/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/h3-12H,13H2,1-2H3.
What are the key properties of 1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene?
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene has a molecular weight of 324.37 g/mol, XLogP of 5.83, 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-methylphenyl)phenyl]methoxy]benzene is sourced from PubChem (CID 118908563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).