4-bromo-1-benzofuran;ethane

C10H11BrO — CID 166455445

IUPAC4-bromo-1-benzofuran;ethane
SMILESBrc1cccc2occc12.CC
InChIInChI=1S/C8H5BrO.C2H6/c9-7-2-1-3-8-6(7)4-5-10-8;1-2/h1-5H;1-2H3
InChIKeyZDLAIKOQTWNUHL-UHFFFAOYSA-N
MW227.10 g/mol
LogP4.22
Rot. Bonds

About 4-bromo-1-benzofuran;ethane

4-bromo-1-benzofuran;ethane (PubChem CID 166455445) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 4-bromo-1-benzofuran;ethane.

Molecular Properties

Compound Name4-bromo-1-benzofuran;ethane
PubChem CID166455445
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name4-bromo-1-benzofuran;ethane
SMILESBrc1cccc2occc12.CC
InChIInChI=1S/C8H5BrO.C2H6/c9-7-2-1-3-8-6(7)4-5-10-8;1-2/h1-5H;1-2H3
InChIKeyZDLAIKOQTWNUHL-UHFFFAOYSA-N
XLogP4.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

magnesium;4-methanidyl-1-benzofuran;chloride
CID 10797773
chromen-4-one;ethane
CID 91315086
4-propan-2-yloxy-1-benzofuran
CID 68788950
bromobenzene;chromen-4-one
CID 174809663
1-benzofuran-4-carbonyl chloride
CID 23450130
1-benzofuran-4-amine;1-benzofuran-4-ol
CID 158607409
4-hexyl-1-benzofuran
CID 90920870
1-benzofuran;bromobenzene
CID 160964237
1-(1-benzofuran-4-yl)cyclopropan-1-ol
CID 117277093
4-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 167605896
4-chlorofuro[3,2-c]pyridine;ethane
CID 144953720
(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol
CID 96741670

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-benzofuran;ethane?
The IUPAC name of 4-bromo-1-benzofuran;ethane (CID 166455445) is 4-bromo-1-benzofuran;ethane.
What is the SMILES notation for 4-bromo-1-benzofuran;ethane?
The canonical SMILES for 4-bromo-1-benzofuran;ethane is Brc1cccc2occc12.CC.
What is the InChIKey of 4-bromo-1-benzofuran;ethane?
The InChIKey is ZDLAIKOQTWNUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO.C2H6/c9-7-2-1-3-8-6(7)4-5-10-8;1-2/h1-5H;1-2H3.
What are the key properties of 4-bromo-1-benzofuran;ethane?
4-bromo-1-benzofuran;ethane has a molecular weight of 227.10 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-benzofuran;ethane is sourced from PubChem (CID 166455445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).