(4-bromo-1-benzofuran-3-yl)methanol

C9H7BrO2 — CID 84690895

IUPAC(4-bromo-1-benzofuran-3-yl)methanol
SMILESOCc1coc2cccc(Br)c12
InChIInChI=1S/C9H7BrO2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,11H,4H2
InChIKeyRDSKPYBGGHFERL-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.69
Rot. Bonds1

About (4-bromo-1-benzofuran-3-yl)methanol

(4-bromo-1-benzofuran-3-yl)methanol (PubChem CID 84690895) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is (4-bromo-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-benzofuran-3-yl)methanol
PubChem CID84690895
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name(4-bromo-1-benzofuran-3-yl)methanol
SMILESOCc1coc2cccc(Br)c12
InChIInChI=1S/C9H7BrO2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,11H,4H2
InChIKeyRDSKPYBGGHFERL-UHFFFAOYSA-N
XLogP2.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-benzofuran-3-yl)methanol?
The IUPAC name of (4-bromo-1-benzofuran-3-yl)methanol (CID 84690895) is (4-bromo-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (4-bromo-1-benzofuran-3-yl)methanol?
The canonical SMILES for (4-bromo-1-benzofuran-3-yl)methanol is OCc1coc2cccc(Br)c12.
What is the InChIKey of (4-bromo-1-benzofuran-3-yl)methanol?
The InChIKey is RDSKPYBGGHFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,11H,4H2.
What are the key properties of (4-bromo-1-benzofuran-3-yl)methanol?
(4-bromo-1-benzofuran-3-yl)methanol has a molecular weight of 227.06 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 84690895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).