5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

C16H11F3O3 — CID 134149702

IUPAC5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H11F3O3/c17-16(18,19)12-3-1-10(2-4-12)8-21-13-5-6-14-11(7-13)9-22-15(14)20/h1-7H,8-9H2
InChIKeyGCXOJPZHDFQQTK-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.95
Rot. Bonds3

About 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one (PubChem CID 134149702) has the molecular formula C16H11F3O3 and a molecular weight of 308.25 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
PubChem CID134149702
Molecular FormulaC16H11F3O3
Molecular Weight308.25 g/mol
Exact Mass308.07
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H11F3O3/c17-16(18,19)12-3-1-10(2-4-12)8-21-13-5-6-14-11(7-13)9-22-15(14)20/h1-7H,8-9H2
InChIKeyGCXOJPZHDFQQTK-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one (CID 134149702) is 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one is O=C1OCc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
The InChIKey is GCXOJPZHDFQQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c17-16(18,19)12-3-1-10(2-4-12)8-21-13-5-6-14-11(7-13)9-22-15(14)20/h1-7H,8-9H2.
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one has a molecular weight of 308.25 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 134149702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).