2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene

C17H15F3O — CID 172879658

IUPAC2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(OC(F)(F)F)c(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H15F3O/c1-4-13-6-8-16(21-17(18,19)20)15(10-13)14-7-5-11(2)12(3)9-14/h4-10H,1H2,2-3H3
InChIKeyCQYRZQUTGXIHSN-UHFFFAOYSA-N
MW292.30 g/mol
LogP5.51
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene

2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene (PubChem CID 172879658) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene
PubChem CID172879658
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(OC(F)(F)F)c(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H15F3O/c1-4-13-6-8-16(21-17(18,19)20)15(10-13)14-7-5-11(2)12(3)9-14/h4-10H,1H2,2-3H3
InChIKeyCQYRZQUTGXIHSN-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethylphenyl)-4-(trifluoromethoxy)benzaldehyde
CID 172879620
1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene
CID 172879664
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
CID 172879654
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
4-[5-ethenyl-2-(trifluoromethoxy)phenyl]-1-(oxan-2-yl)pyrazole
CID 172906877
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
CID 118268925
4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene (CID 172879658) is 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene is C=Cc1ccc(OC(F)(F)F)c(-c2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene?
The InChIKey is CQYRZQUTGXIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-4-13-6-8-16(21-17(18,19)20)15(10-13)14-7-5-11(2)12(3)9-14/h4-10H,1H2,2-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene?
2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene has a molecular weight of 292.30 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 172879658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).