(3-bromo-1-benzofuran-2-yl)methanol

C9H7BrO2 — CID 23497351

IUPAC(3-bromo-1-benzofuran-2-yl)methanol
SMILESOCc1oc2ccccc2c1Br
InChIInChI=1S/C9H7BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
InChIKeyWOLMUPDGDOIEEX-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.69
Rot. Bonds1

About (3-bromo-1-benzofuran-2-yl)methanol

(3-bromo-1-benzofuran-2-yl)methanol (PubChem CID 23497351) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is (3-bromo-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-benzofuran-2-yl)methanol
PubChem CID23497351
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name(3-bromo-1-benzofuran-2-yl)methanol
SMILESOCc1oc2ccccc2c1Br
InChIInChI=1S/C9H7BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
InChIKeyWOLMUPDGDOIEEX-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 (3-bromo-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-bromo-1-benzofuran-2-yl)methanol (CID 23497351) is (3-bromo-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-bromo-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-bromo-1-benzofuran-2-yl)methanol is OCc1oc2ccccc2c1Br.
What is the InChIKey of (3-bromo-1-benzofuran-2-yl)methanol?
The InChIKey is WOLMUPDGDOIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2.
What are the key properties of (3-bromo-1-benzofuran-2-yl)methanol?
(3-bromo-1-benzofuran-2-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 (3-bromo-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 23497351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).