2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene

C20H17F — CID 22899602

IUPAC2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1
InChIInChI=1S/C20H17F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h3-13H,1-2H3
InChIKeyKDNVHPAZYNECGD-UHFFFAOYSA-N
MW276.35 g/mol
LogP5.78
Rot. Bonds2

About 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene

2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 22899602) has the molecular formula C20H17F and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
PubChem CID22899602
Molecular FormulaC20H17F
Molecular Weight276.35 g/mol
Exact Mass276.13
IUPAC Name2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1
InChIInChI=1S/C20H17F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h3-13H,1-2H3
InChIKeyKDNVHPAZYNECGD-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 20683308
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
2-(3-fluoro-4-methylphenyl)-4-methylphenol
CID 83129977
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene (CID 22899602) is 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.
What is the InChIKey of 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
The InChIKey is KDNVHPAZYNECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h3-13H,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene has a molecular weight of 276.35 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 22899602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).