1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene

C16H13F3O2 — CID 19436335

IUPAC1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O2/c1-20-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)21-16(17,18)19/h2-11H,1H3/b3-2+
InChIKeyACKMVNJJCUJBCY-NSCUHMNNSA-N
MW294.27 g/mol
LogP4.76
Rot. Bonds4

About 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene

1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene (PubChem CID 19436335) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
PubChem CID19436335
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O2/c1-20-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)21-16(17,18)19/h2-11H,1H3/b3-2+
InChIKeyACKMVNJJCUJBCY-NSCUHMNNSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene (CID 19436335) is 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene is COc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
The InChIKey is ACKMVNJJCUJBCY-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-20-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)21-16(17,18)19/h2-11H,1H3/b3-2+.
What are the key properties of 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene has a molecular weight of 294.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene is sourced from PubChem (CID 19436335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).