1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol

C15H9BrF2O2 — CID 115836064

IUPAC1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
SMILESOC(c1cc2ccccc2o1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H9BrF2O2/c16-9-6-10(17)14(11(18)7-9)15(19)13-5-8-3-1-2-4-12(8)20-13/h1-7,15,19H
InChIKeyNMHROHHENASWIL-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.56
Rot. Bonds2

About 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol

1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol (PubChem CID 115836064) has the molecular formula C15H9BrF2O2 and a molecular weight of 339.14 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
PubChem CID115836064
Molecular FormulaC15H9BrF2O2
Molecular Weight339.14 g/mol
Exact Mass337.98
IUPAC Name1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
SMILESOC(c1cc2ccccc2o1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H9BrF2O2/c16-9-6-10(17)14(11(18)7-9)15(19)13-5-8-3-1-2-4-12(8)20-13/h1-7,15,19H
InChIKeyNMHROHHENASWIL-UHFFFAOYSA-N
XLogP4.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
1-benzofuran-2-yl-(3,4-difluorophenyl)methanol
CID 63089375
1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
CID 105128806
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-benzofuran-2-yl(thiophen-2-yl)methanol
CID 63090596
1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
CID 114723309
1-benzofuran-2-yl(thiadiazol-4-yl)methanol
CID 105128865

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol (CID 115836064) is 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol is OC(c1cc2ccccc2o1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol?
The InChIKey is NMHROHHENASWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2O2/c16-9-6-10(17)14(11(18)7-9)15(19)13-5-8-3-1-2-4-12(8)20-13/h1-7,15,19H.
What are the key properties of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol?
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol has a molecular weight of 339.14 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol is sourced from PubChem (CID 115836064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).