6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran

C17H13F3O2 — CID 117185533

IUPAC6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
SMILESCc1ccc2c(COc3ccc(C(F)(F)F)cc3)coc2c1
InChIInChI=1S/C17H13F3O2/c1-11-2-7-15-12(10-22-16(15)8-11)9-21-14-5-3-13(4-6-14)17(18,19)20/h2-8,10H,9H2,1H3
InChIKeyMZOKBAGVQFEDSC-UHFFFAOYSA-N
MW306.28 g/mol
LogP5.34
Rot. Bonds3

About 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran

6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran (PubChem CID 117185533) has the molecular formula C17H13F3O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
PubChem CID117185533
Molecular FormulaC17H13F3O2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
SMILESCc1ccc2c(COc3ccc(C(F)(F)F)cc3)coc2c1
InChIInChI=1S/C17H13F3O2/c1-11-2-7-15-12(10-22-16(15)8-11)9-21-14-5-3-13(4-6-14)17(18,19)20/h2-8,10H,9H2,1H3
InChIKeyMZOKBAGVQFEDSC-UHFFFAOYSA-N
XLogP5.34
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010405
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117181081
N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-7-amine
CID 117181079
3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine
CID 117177622
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
CID 117174164
6,7-dimethyl-4-[[4-(trifluoromethyl)phenoxy]methyl]chromen-2-one
CID 7467569
1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509620

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
The IUPAC name of 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran (CID 117185533) is 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran.
What is the SMILES notation for 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
The canonical SMILES for 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran is Cc1ccc2c(COc3ccc(C(F)(F)F)cc3)coc2c1.
What is the InChIKey of 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
The InChIKey is MZOKBAGVQFEDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O2/c1-11-2-7-15-12(10-22-16(15)8-11)9-21-14-5-3-13(4-6-14)17(18,19)20/h2-8,10H,9H2,1H3.
What are the key properties of 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran has a molecular weight of 306.28 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran is sourced from PubChem (CID 117185533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).