1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol

C15H10BrFO2 — CID 114885782

IUPAC1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
SMILESOC(c1cc2ccccc2o1)c1c(F)cccc1Br
InChIInChI=1S/C15H10BrFO2/c16-10-5-3-6-11(17)14(10)15(18)13-8-9-4-1-2-7-12(9)19-13/h1-8,15,18H
InChIKeyDGKWSZWWRNVUNT-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.42
Rot. Bonds2

About 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol

1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol (PubChem CID 114885782) has the molecular formula C15H10BrFO2 and a molecular weight of 321.15 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
PubChem CID114885782
Molecular FormulaC15H10BrFO2
Molecular Weight321.15 g/mol
Exact Mass319.98
IUPAC Name1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
SMILESOC(c1cc2ccccc2o1)c1c(F)cccc1Br
InChIInChI=1S/C15H10BrFO2/c16-10-5-3-6-11(17)14(10)15(18)13-8-9-4-1-2-7-12(9)19-13/h1-8,15,18H
InChIKeyDGKWSZWWRNVUNT-UHFFFAOYSA-N
XLogP4.42
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
CID 115836064
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
CID 114885765
(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
CID 106945078
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-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
CID 105128806
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884122
1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 114635081
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol (CID 114885782) is 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol is OC(c1cc2ccccc2o1)c1c(F)cccc1Br.
What is the InChIKey of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol?
The InChIKey is DGKWSZWWRNVUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO2/c16-10-5-3-6-11(17)14(10)15(18)13-8-9-4-1-2-7-12(9)19-13/h1-8,15,18H.
What are the key properties of 1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol?
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol has a molecular weight of 321.15 g/mol, XLogP of 4.42, 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-(2-bromo-6-fluorophenyl)methanol is sourced from PubChem (CID 114885782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).