1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene

C22H17F3O — CID 11314207

IUPAC1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
SMILESCOc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C22H17F3O/c1-26-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)21(22(23,24)25)18-10-6-3-7-11-18/h2-15H,1H3/b21-20+
InChIKeyRBMOGTSNZBPZRL-QZQOTICOSA-N
MW354.37 g/mol
LogP6.22
Rot. Bonds4

About 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene

1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene (PubChem CID 11314207) has the molecular formula C22H17F3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
PubChem CID11314207
Molecular FormulaC22H17F3O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
SMILESCOc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C22H17F3O/c1-26-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)21(22(23,24)25)18-10-6-3-7-11-18/h2-15H,1H3/b21-20+
InChIKeyRBMOGTSNZBPZRL-QZQOTICOSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.37
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene (CID 11314207) is 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene is COc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The InChIKey is RBMOGTSNZBPZRL-QZQOTICOSA-N. The full InChI is InChI=1S/C22H17F3O/c1-26-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)21(22(23,24)25)18-10-6-3-7-11-18/h2-15H,1H3/b21-20+.
What are the key properties of 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene has a molecular weight of 354.37 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene is sourced from PubChem (CID 11314207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).