4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene

C22H17F3O2 — CID 172879654

IUPAC4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(OC(F)(F)F)c(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H17F3O2/c1-2-16-8-13-21(27-22(23,24)25)20(14-16)18-9-11-19(12-10-18)26-15-17-6-4-3-5-7-17/h2-14H,1,15H2
InChIKeyNCONJUUSUUIZER-UHFFFAOYSA-N
MW370.37 g/mol
LogP6.47
Rot. Bonds6

About 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene

4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene (PubChem CID 172879654) has the molecular formula C22H17F3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
PubChem CID172879654
Molecular FormulaC22H17F3O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(OC(F)(F)F)c(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H17F3O2/c1-2-16-8-13-21(27-22(23,24)25)20(14-16)18-9-11-19(12-10-18)26-15-17-6-4-3-5-7-17/h2-14H,1,15H2
InChIKeyNCONJUUSUUIZER-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536
4-ethenyl-2-(3-methylphenyl)-1-phenylmethoxybenzene
CID 172879772
1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene
CID 172879664
5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
CID 175646915
4-(cyclohexylmethoxy)-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 22616636
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 67459181
1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
CID 139773227
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene (CID 172879654) is 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene is C=Cc1ccc(OC(F)(F)F)c(-c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene?
The InChIKey is NCONJUUSUUIZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O2/c1-2-16-8-13-21(27-22(23,24)25)20(14-16)18-9-11-19(12-10-18)26-15-17-6-4-3-5-7-17/h2-14H,1,15H2.
What are the key properties of 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene?
4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene has a molecular weight of 370.37 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 172879654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).