(5-bromo-1-benzofuran-3-yl)methanol;ethane

C11H13BrO2 — CID 156725313

IUPAC(5-bromo-1-benzofuran-3-yl)methanol;ethane
SMILESCC.OCc1coc2ccc(Br)cc12
InChIInChI=1S/C9H7BrO2.C2H6/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;1-2/h1-3,5,11H,4H2;1-2H3
InChIKeyGAMFPNRKKQAMRJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.71
Rot. Bonds1

About (5-bromo-1-benzofuran-3-yl)methanol;ethane

(5-bromo-1-benzofuran-3-yl)methanol;ethane (PubChem CID 156725313) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-3-yl)methanol;ethane.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-3-yl)methanol;ethane
PubChem CID156725313
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name(5-bromo-1-benzofuran-3-yl)methanol;ethane
SMILESCC.OCc1coc2ccc(Br)cc12
InChIInChI=1S/C9H7BrO2.C2H6/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;1-2/h1-3,5,11H,4H2;1-2H3
InChIKeyGAMFPNRKKQAMRJ-UHFFFAOYSA-N
XLogP3.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-3-yl)methanol;ethane?
The IUPAC name of (5-bromo-1-benzofuran-3-yl)methanol;ethane (CID 156725313) is (5-bromo-1-benzofuran-3-yl)methanol;ethane.
What is the SMILES notation for (5-bromo-1-benzofuran-3-yl)methanol;ethane?
The canonical SMILES for (5-bromo-1-benzofuran-3-yl)methanol;ethane is CC.OCc1coc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1-benzofuran-3-yl)methanol;ethane?
The InChIKey is GAMFPNRKKQAMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2.C2H6/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;1-2/h1-3,5,11H,4H2;1-2H3.
What are the key properties of (5-bromo-1-benzofuran-3-yl)methanol;ethane?
(5-bromo-1-benzofuran-3-yl)methanol;ethane has a molecular weight of 257.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-3-yl)methanol;ethane is sourced from PubChem (CID 156725313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).