1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene

C17H15F3O2 — CID 177454305

IUPAC1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
SMILESCOc1ccc(OC(/C=C/C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C17H15F3O2/c1-21-14-7-9-15(10-8-14)22-16(11-12-17(18,19)20)13-5-3-2-4-6-13/h2-12,16H,1H3/b12-11+
InChIKeyOYUWWOGIFDPPDF-VAWYXSNFSA-N
MW308.30 g/mol
LogP4.93
Rot. Bonds5

About 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene

1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene (PubChem CID 177454305) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
PubChem CID177454305
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
SMILESCOc1ccc(OC(/C=C/C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C17H15F3O2/c1-21-14-7-9-15(10-8-14)22-16(11-12-17(18,19)20)13-5-3-2-4-6-13/h2-12,16H,1H3/b12-11+
InChIKeyOYUWWOGIFDPPDF-VAWYXSNFSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxyprop-2-enylbenzene
CID 11735962
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
CID 135005803
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene?
The IUPAC name of 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene (CID 177454305) is 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene is COc1ccc(OC(/C=C/C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene?
The InChIKey is OYUWWOGIFDPPDF-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-21-14-7-9-15(10-8-14)22-16(11-12-17(18,19)20)13-5-3-2-4-6-13/h2-12,16H,1H3/b12-11+.
What are the key properties of 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene?
1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene has a molecular weight of 308.30 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene is sourced from PubChem (CID 177454305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).