2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran

C16H10BrF3O3 — CID 146390892

IUPAC2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran
SMILESCOc1ccc2cc(-c3ccc(Br)cc3OC(F)(F)F)oc2c1
InChIInChI=1S/C16H10BrF3O3/c1-21-11-4-2-9-6-14(22-13(9)8-11)12-5-3-10(17)7-15(12)23-16(18,19)20/h2-8H,1H3
InChIKeyKJKBWCKRLXRYOO-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.77
Rot. Bonds3

About 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran

2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran (PubChem CID 146390892) has the molecular formula C16H10BrF3O3 and a molecular weight of 387.15 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran
PubChem CID146390892
Molecular FormulaC16H10BrF3O3
Molecular Weight387.15 g/mol
Exact Mass385.98
IUPAC Name2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran
SMILESCOc1ccc2cc(-c3ccc(Br)cc3OC(F)(F)F)oc2c1
InChIInChI=1S/C16H10BrF3O3/c1-21-11-4-2-9-6-14(22-13(9)8-11)12-5-3-10(17)7-15(12)23-16(18,19)20/h2-8H,1H3
InChIKeyKJKBWCKRLXRYOO-UHFFFAOYSA-N
XLogP5.77
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzofuran
CID 146391174
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
[4,4,4-trifluoro-2-[[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl]-2-methylbutyl] prop-2-enoate
CID 153306074
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
CID 23312199
[3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxy-2-(trifluoromethyl)cyclopentyl] 2-methylprop-2-enoate
CID 155262421
[3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxy-2-methylpropyl] prop-2-enoate
CID 170017631
(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
CID 82958164
[3,3,3-trifluoro-2-[[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl]propyl] 2-methylprop-2-enoate
CID 155262358

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran?
The IUPAC name of 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran (CID 146390892) is 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran is COc1ccc2cc(-c3ccc(Br)cc3OC(F)(F)F)oc2c1.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran?
The InChIKey is KJKBWCKRLXRYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3O3/c1-21-11-4-2-9-6-14(22-13(9)8-11)12-5-3-10(17)7-15(12)23-16(18,19)20/h2-8H,1H3.
What are the key properties of 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran?
2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran has a molecular weight of 387.15 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methoxy-1-benzofuran is sourced from PubChem (CID 146390892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).