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

C16H13F3O2 — CID 155293536

IUPAC4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(OCc2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C16H13F3O2/c1-2-12-8-9-14(15(10-12)21-16(17,18)19)20-11-13-6-4-3-5-7-13/h2-10H,1,11H2
InChIKeyHVJBMRSDNOSCSZ-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.81
Rot. Bonds5

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

4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene (PubChem CID 155293536) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
PubChem CID155293536
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(OCc2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C16H13F3O2/c1-2-12-8-9-14(15(10-12)21-16(17,18)19)20-11-13-6-4-3-5-7-13/h2-10H,1,11H2
InChIKeyHVJBMRSDNOSCSZ-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
CID 172879654
3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
CID 162531112
4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
CID 139603519
4-ethenyl-2-(3-methylphenyl)-1-phenylmethoxybenzene
CID 172879772
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
CID 170171554
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
CID 86668560
1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
CID 118268925
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene?
The IUPAC name of 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene (CID 155293536) is 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene?
The canonical SMILES for 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene is C=Cc1ccc(OCc2ccccc2)c(OC(F)(F)F)c1.
What is the InChIKey of 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene?
The InChIKey is HVJBMRSDNOSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-12-8-9-14(15(10-12)21-16(17,18)19)20-11-13-6-4-3-5-7-13/h2-10H,1,11H2.
What are the key properties of 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene?
4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene has a molecular weight of 294.27 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 155293536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).