(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran

C17H11Br2FO3 — CID 165028818

IUPAC(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran
SMILESFc1cc2cc(Br)ccc2o1.OCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H7BrO2.C8H4BrFO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9;9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4,11H,5H2;1-4H
InChIKeyMHWGCVISOQNTHJ-UHFFFAOYSA-N
MW442.08 g/mol
LogP6.02
Rot. Bonds1

About (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran

(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran (PubChem CID 165028818) has the molecular formula C17H11Br2FO3 and a molecular weight of 442.08 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran
PubChem CID165028818
Molecular FormulaC17H11Br2FO3
Molecular Weight442.08 g/mol
Exact Mass439.91
IUPAC Name(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran
SMILESFc1cc2cc(Br)ccc2o1.OCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H7BrO2.C8H4BrFO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9;9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4,11H,5H2;1-4H
InChIKeyMHWGCVISOQNTHJ-UHFFFAOYSA-N
XLogP6.02
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.08
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
CID 117176006
(5-ethyl-1-benzofuran-2-yl)methanol
CID 65439757
5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
CID 117175888
1-[(5-bromo-1-benzofuran-2-yl)methyl]-3-(fluoromethyl)azetidine;ethane
CID 177232062
[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol
CID 69144825
5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran
CID 13004045
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
6-bromo-3-methylchromen-2-one
CID 14956088
1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
CID 71301977
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanol
CID 28693697

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran (CID 165028818) is (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran is Fc1cc2cc(Br)ccc2o1.OCc1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran?
The InChIKey is MHWGCVISOQNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2.C8H4BrFO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9;9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4,11H,5H2;1-4H.
What are the key properties of (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran?
(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran has a molecular weight of 442.08 g/mol, XLogP of 6.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran is sourced from PubChem (CID 165028818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).