(3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran

C18H15F3O2 — CID 135022524

IUPAC(3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
SMILESCOc1ccc2c(c1)C(C(F)(F)F)O/C2=C\c1ccc(C)cc1
InChIInChI=1S/C18H15F3O2/c1-11-3-5-12(6-4-11)9-16-14-8-7-13(22-2)10-15(14)17(23-16)18(19,20)21/h3-10,17H,1-2H3/b16-9-
InChIKeyHPXKIXXLIJIEIA-SXGWCWSVSA-N
MW320.31 g/mol
LogP5.14
Rot. Bonds2

About (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran

(3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran (PubChem CID 135022524) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
PubChem CID135022524
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name(3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
SMILESCOc1ccc2c(c1)C(C(F)(F)F)O/C2=C\c1ccc(C)cc1
InChIInChI=1S/C18H15F3O2/c1-11-3-5-12(6-4-11)9-16-14-8-7-13(22-2)10-15(14)17(23-16)18(19,20)21/h3-10,17H,1-2H3/b16-9-
InChIKeyHPXKIXXLIJIEIA-SXGWCWSVSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxy-1-[(4-methoxyphenyl)methylidene]-6-methyl-3,5-dihydrofuro[3,4-c]pyridin-4-one
CID 174426896
(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one
CID 135053019
1-(113C)methoxy-4-methylbenzene
CID 166176950
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
2,7,9-trimethoxy-9H-fluorene
CID 155898925
2-[6-methoxy-2-methyl-3-[[4-(trifluoromethoxy)phenyl]methylidene]inden-1-yl]acetonitrile
CID 57097284
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54221747
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
The IUPAC name of (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran (CID 135022524) is (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran.
What is the SMILES notation for (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
The canonical SMILES for (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran is COc1ccc2c(c1)C(C(F)(F)F)O/C2=C\c1ccc(C)cc1.
What is the InChIKey of (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
The InChIKey is HPXKIXXLIJIEIA-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-11-3-5-12(6-4-11)9-16-14-8-7-13(22-2)10-15(14)17(23-16)18(19,20)21/h3-10,17H,1-2H3/b16-9-.
What are the key properties of (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
(3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran has a molecular weight of 320.31 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methoxy-3-[(4-methylphenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran is sourced from PubChem (CID 135022524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).