3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

C15H13F3O — CID 122232930

IUPAC3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=CC=CC(c2ccccc2)(C(F)(F)F)C=C1
InChIInChI=1S/C15H13F3O/c1-19-13-8-5-10-14(11-9-13,15(16,17)18)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyZTMRYXITGHCOGG-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.14
Rot. Bonds2

About 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 122232930) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID122232930
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=CC=CC(c2ccccc2)(C(F)(F)F)C=C1
InChIInChI=1S/C15H13F3O/c1-19-13-8-5-10-14(11-9-13,15(16,17)18)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyZTMRYXITGHCOGG-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methoxy-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 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 122232930) is 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is COC1=CC=CC(c2ccccc2)(C(F)(F)F)C=C1.
What is the InChIKey of 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is ZTMRYXITGHCOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-19-13-8-5-10-14(11-9-13,15(16,17)18)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene?
3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 266.26 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 122232930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).