5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene

C22H20F2 — CID 59787642

IUPAC5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene
SMILESCc1ccc(-c2ccc(-c3cc(F)c(C)c(F)c3)c(C)c2)c(C)c1
InChIInChI=1S/C22H20F2/c1-13-5-7-19(14(2)9-13)17-6-8-20(15(3)10-17)18-11-21(23)16(4)22(24)12-18/h5-12H,1-4H3
InChIKeyWCLXJXNJXXPQHF-UHFFFAOYSA-N
MW322.40 g/mol
LogP6.53
Rot. Bonds2

About 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene

5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene (PubChem CID 59787642) has the molecular formula C22H20F2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene.

Molecular Properties

Compound Name5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene
PubChem CID59787642
Molecular FormulaC22H20F2
Molecular Weight322.40 g/mol
Exact Mass322.15
IUPAC Name5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene
SMILESCc1ccc(-c2ccc(-c3cc(F)c(C)c(F)c3)c(C)c2)c(C)c1
InChIInChI=1S/C22H20F2/c1-13-5-7-19(14(2)9-13)17-6-8-20(15(3)10-17)18-11-21(23)16(4)22(24)12-18/h5-12H,1-4H3
InChIKeyWCLXJXNJXXPQHF-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(2,4-dimethylphenyl)-2-fluorophenol
CID 53219279
5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
CID 20683371
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl] 4-(2,4-dimethylphenyl)-2-methylbenzoate
CID 58756043
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene?
The IUPAC name of 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene (CID 59787642) is 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene.
What is the SMILES notation for 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene?
The canonical SMILES for 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene is Cc1ccc(-c2ccc(-c3cc(F)c(C)c(F)c3)c(C)c2)c(C)c1.
What is the InChIKey of 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene?
The InChIKey is WCLXJXNJXXPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2/c1-13-5-7-19(14(2)9-13)17-6-8-20(15(3)10-17)18-11-21(23)16(4)22(24)12-18/h5-12H,1-4H3.
What are the key properties of 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene?
5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene has a molecular weight of 322.40 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene is sourced from PubChem (CID 59787642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).