2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene

C16H15F — CID 142004346

IUPAC2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene
SMILESC=Cc1c(C)ccc(-c2ccc(C)cc2)c1F
InChIInChI=1S/C16H15F/c1-4-14-12(3)7-10-15(16(14)17)13-8-5-11(2)6-9-13/h4-10H,1H2,2-3H3
InChIKeyZFMKYQHCOXPMBU-UHFFFAOYSA-N
MW226.29 g/mol
LogP4.75
Rot. Bonds2

About 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene

2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene (PubChem CID 142004346) has the molecular formula C16H15F and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene
PubChem CID142004346
Molecular FormulaC16H15F
Molecular Weight226.29 g/mol
Exact Mass226.12
IUPAC Name2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene
SMILESC=Cc1c(C)ccc(-c2ccc(C)cc2)c1F
InChIInChI=1S/C16H15F/c1-4-14-12(3)7-10-15(16(14)17)13-8-5-11(2)6-9-13/h4-10H,1H2,2-3H3
InChIKeyZFMKYQHCOXPMBU-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-difluoro-3-(4-methylphenyl)benzaldehyde
CID 164894314
3-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-6-ethenyl-2-fluoropyridine
CID 163585581
1,6-dimethylazulene
CID 10855725
2-ethenyl-1,3-difluoro-4-methylbenzene
CID 134441923
4-ethenyl-1,2,3-trifluoro-5-methylbenzene
CID 141314724
4-[2,3-difluoro-4-(4-methylphenyl)phenyl]-N-propylaniline
CID 129140693
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
CID 58140910
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
[2,6-difluoro-3-(4-methylphenyl)phenyl]methanol
CID 175668235
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine
CID 91060417

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene?
The IUPAC name of 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene (CID 142004346) is 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene?
The canonical SMILES for 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene is C=Cc1c(C)ccc(-c2ccc(C)cc2)c1F.
What is the InChIKey of 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene?
The InChIKey is ZFMKYQHCOXPMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F/c1-4-14-12(3)7-10-15(16(14)17)13-8-5-11(2)6-9-13/h4-10H,1H2,2-3H3.
What are the key properties of 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene?
2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene has a molecular weight of 226.29 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 142004346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).