5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran

C16H14BrFO2 — CID 107661972

IUPAC5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1cccc(OCc2cc(Br)cc3c2OCC3)c1F
InChIInChI=1S/C16H14BrFO2/c1-10-3-2-4-14(15(10)18)20-9-12-8-13(17)7-11-5-6-19-16(11)12/h2-4,7-8H,5-6,9H2,1H3
InChIKeyZSSKDUIQYQGIGH-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 107661972) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran
PubChem CID107661972
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1cccc(OCc2cc(Br)cc3c2OCC3)c1F
InChIInChI=1S/C16H14BrFO2/c1-10-3-2-4-14(15(10)18)20-9-12-8-13(17)7-11-5-6-19-16(11)12/h2-4,7-8H,5-6,9H2,1H3
InChIKeyZSSKDUIQYQGIGH-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 107691282
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorobenzaldehyde
CID 107697879
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 104702272
2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol
CID 107709496
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide
CID 113403343
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885477
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115830920
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine
CID 107694893
5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran
CID 141414354
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-ethoxypyridin-2-amine
CID 104703116
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran (CID 107661972) is 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran is Cc1cccc(OCc2cc(Br)cc3c2OCC3)c1F.
What is the InChIKey of 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ZSSKDUIQYQGIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-3-2-4-14(15(10)18)20-9-12-8-13(17)7-11-5-6-19-16(11)12/h2-4,7-8H,5-6,9H2,1H3.
What are the key properties of 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 337.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107661972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).