1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene

C15H11F3O — CID 138115533

IUPAC1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C15H11F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H
InChIKeyIEULXGWKWLEWBA-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.76
Rot. Bonds3

About 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene

1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene (PubChem CID 138115533) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
PubChem CID138115533
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C15H11F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H
InChIKeyIEULXGWKWLEWBA-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
trifluoromethoxybenzene
CID 157402708
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
trifluoromethoxybenzene fluoride
CID 158305019
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
CID 141369705
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene (CID 138115533) is 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene?
The InChIKey is IEULXGWKWLEWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene?
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene has a molecular weight of 264.25 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 138115533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).