7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran

C16H11F3O3 — CID 173189765

IUPAC7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran
SMILESCOc1ccc(OC(F)(F)F)c2cc(-c3ccccc3)oc12
InChIInChI=1S/C16H11F3O3/c1-20-13-8-7-12(22-16(17,18)19)11-9-14(21-15(11)13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQXQPJEZVDKUAEU-UHFFFAOYSA-N
MW308.26 g/mol
LogP5.01
Rot. Bonds3

About 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran

7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran (PubChem CID 173189765) has the molecular formula C16H11F3O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran
PubChem CID173189765
Molecular FormulaC16H11F3O3
Molecular Weight308.26 g/mol
Exact Mass308.07
IUPAC Name7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran
SMILESCOc1ccc(OC(F)(F)F)c2cc(-c3ccccc3)oc12
InChIInChI=1S/C16H11F3O3/c1-20-13-8-7-12(22-16(17,18)19)11-9-14(21-15(11)13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQXQPJEZVDKUAEU-UHFFFAOYSA-N
XLogP5.01
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran?
The IUPAC name of 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran (CID 173189765) is 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran.
What is the SMILES notation for 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran?
The canonical SMILES for 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran is COc1ccc(OC(F)(F)F)c2cc(-c3ccccc3)oc12.
What is the InChIKey of 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran?
The InChIKey is QXQPJEZVDKUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c1-20-13-8-7-12(22-16(17,18)19)11-9-14(21-15(11)13)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran?
7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran has a molecular weight of 308.26 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-4-(trifluoromethoxy)-1-benzofuran is sourced from PubChem (CID 173189765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).