1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene

C22H19F3O2 — CID 20557377

IUPAC1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(F)(F)F)cc1
InChIInChI=1S/C22H19F3O2/c1-26-19-12-8-17(9-13-19)21(22(23,24)25,16-6-4-3-5-7-16)18-10-14-20(27-2)15-11-18/h3-15H,1-2H3
InChIKeyQIQSFYRIFRKXQW-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.60
Rot. Bonds5

About 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene

1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene (PubChem CID 20557377) has the molecular formula C22H19F3O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene
PubChem CID20557377
Molecular FormulaC22H19F3O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(F)(F)F)cc1
InChIInChI=1S/C22H19F3O2/c1-26-19-12-8-17(9-13-19)21(22(23,24)25,16-6-4-3-5-7-16)18-10-14-20(27-2)15-11-18/h3-15H,1-2H3
InChIKeyQIQSFYRIFRKXQW-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene?
The IUPAC name of 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene (CID 20557377) is 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene?
The canonical SMILES for 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene?
The InChIKey is QIQSFYRIFRKXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O2/c1-26-19-12-8-17(9-13-19)21(22(23,24)25,16-6-4-3-5-7-16)18-10-14-20(27-2)15-11-18/h3-15H,1-2H3.
What are the key properties of 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene?
1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene has a molecular weight of 372.39 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-phenylethyl]benzene is sourced from PubChem (CID 20557377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).