1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene

C15H12ClF — CID 172653879

IUPAC1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene
SMILESC=Cc1cc(C)cc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H12ClF/c1-3-11-6-10(2)7-12(8-11)14-9-13(17)4-5-15(14)16/h3-9H,1H2,2H3
InChIKeyVBVFTYBOAZOCIS-UHFFFAOYSA-N
MW246.71 g/mol
LogP5.10
Rot. Bonds2

About 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene

1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene (PubChem CID 172653879) has the molecular formula C15H12ClF and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene
PubChem CID172653879
Molecular FormulaC15H12ClF
Molecular Weight246.71 g/mol
Exact Mass246.06
IUPAC Name1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene
SMILESC=Cc1cc(C)cc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H12ClF/c1-3-11-6-10(2)7-12(8-11)14-9-13(17)4-5-15(14)16/h3-9H,1H2,2H3
InChIKeyVBVFTYBOAZOCIS-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.71
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
CID 172653886
1-chloro-2-(3-ethenyl-4-methylphenyl)-4-fluorobenzene
CID 172654203
1-ethenyl-3-methyl-5-(4-methylphenyl)benzene
CID 167311921
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
1-ethenyl-3-methyl-5-(2-methylsulfonylphenyl)benzene
CID 167311900
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
3-(3-ethenyl-5-methylphenyl)thiophene
CID 172650410
1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
CID 158777597
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene?
The IUPAC name of 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene (CID 172653879) is 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene is C=Cc1cc(C)cc(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene?
The InChIKey is VBVFTYBOAZOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF/c1-3-11-6-10(2)7-12(8-11)14-9-13(17)4-5-15(14)16/h3-9H,1H2,2H3.
What are the key properties of 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene?
1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene has a molecular weight of 246.71 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene is sourced from PubChem (CID 172653879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).