2-(7-bromo-1-benzofuran-3-yl)ethanol

C10H9BrO2 — CID 83526831

IUPAC2-(7-bromo-1-benzofuran-3-yl)ethanol
SMILESOCCc1coc2c(Br)cccc12
InChIInChI=1S/C10H9BrO2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,12H,4-5H2
InChIKeyHTEQIOZWQKULAV-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.73
Rot. Bonds2

About 2-(7-bromo-1-benzofuran-3-yl)ethanol

2-(7-bromo-1-benzofuran-3-yl)ethanol (PubChem CID 83526831) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-(7-bromo-1-benzofuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-bromo-1-benzofuran-3-yl)ethanol
PubChem CID83526831
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name2-(7-bromo-1-benzofuran-3-yl)ethanol
SMILESOCCc1coc2c(Br)cccc12
InChIInChI=1S/C10H9BrO2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,12H,4-5H2
InChIKeyHTEQIOZWQKULAV-UHFFFAOYSA-N
XLogP2.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1-benzofuran-3-yl)ethanol?
The IUPAC name of 2-(7-bromo-1-benzofuran-3-yl)ethanol (CID 83526831) is 2-(7-bromo-1-benzofuran-3-yl)ethanol.
What is the SMILES notation for 2-(7-bromo-1-benzofuran-3-yl)ethanol?
The canonical SMILES for 2-(7-bromo-1-benzofuran-3-yl)ethanol is OCCc1coc2c(Br)cccc12.
What is the InChIKey of 2-(7-bromo-1-benzofuran-3-yl)ethanol?
The InChIKey is HTEQIOZWQKULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,12H,4-5H2.
What are the key properties of 2-(7-bromo-1-benzofuran-3-yl)ethanol?
2-(7-bromo-1-benzofuran-3-yl)ethanol has a molecular weight of 241.08 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1-benzofuran-3-yl)ethanol is sourced from PubChem (CID 83526831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).