2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

C16H15F3O2 — CID 122232926

IUPAC2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=CC(OC)=CC(c2ccccc2)(C(F)(F)F)C=C1
InChIInChI=1S/C16H15F3O2/c1-20-13-8-9-15(16(17,18)19,11-14(10-13)21-2)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyHSRWAUMVYTXYQG-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.12
Rot. Bonds3

About 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 122232926) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID122232926
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=CC(OC)=CC(c2ccccc2)(C(F)(F)F)C=C1
InChIInChI=1S/C16H15F3O2/c1-20-13-8-9-15(16(17,18)19,11-14(10-13)21-2)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyHSRWAUMVYTXYQG-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene 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 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 122232926) is 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is COC1=CC(OC)=CC(c2ccccc2)(C(F)(F)F)C=C1.
What is the InChIKey of 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is HSRWAUMVYTXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-20-13-8-9-15(16(17,18)19,11-14(10-13)21-2)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 296.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 122232926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).