4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene

C17H15F3O — CID 167653908

IUPAC4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
SMILESC=Cc1ccc(OC)c(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O/c1-3-12-7-8-16(21-2)14(9-12)10-13-5-4-6-15(11-13)17(18,19)20/h3-9,11H,1,10H2,2H3
InChIKeyJJQPKSLVCXAXOF-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.95
Rot. Bonds4

About 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene

4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 167653908) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID167653908
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
SMILESC=Cc1ccc(OC)c(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O/c1-3-12-7-8-16(21-2)14(9-12)10-13-5-4-6-15(11-13)17(18,19)20/h3-9,11H,1,10H2,2H3
InChIKeyJJQPKSLVCXAXOF-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 842707
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 134015070
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21229354
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117145514
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene (CID 167653908) is 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene is C=Cc1ccc(OC)c(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is JJQPKSLVCXAXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-3-12-7-8-16(21-2)14(9-12)10-13-5-4-6-15(11-13)17(18,19)20/h3-9,11H,1,10H2,2H3.
What are the key properties of 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene?
4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 292.30 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 167653908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).