1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone

C12H11BrO2 — CID 43155099

IUPAC1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(Br)cc(C)cc2c1C
InChIInChI=1S/C12H11BrO2/c1-6-4-9-7(2)11(8(3)14)15-12(9)10(13)5-6/h4-5H,1-3H3
InChIKeyLAYIWKRRXUKIFQ-UHFFFAOYSA-N
MW267.12 g/mol
LogP4.01
Rot. Bonds1

About 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone

1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone (PubChem CID 43155099) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
PubChem CID43155099
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(Br)cc(C)cc2c1C
InChIInChI=1S/C12H11BrO2/c1-6-4-9-7(2)11(8(3)14)15-12(9)10(13)5-6/h4-5H,1-3H3
InChIKeyLAYIWKRRXUKIFQ-UHFFFAOYSA-N
XLogP4.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
7-bromo-3-tert-butyl-5-methyl-1-benzofuran-2-carboxylic acid
CID 63487844
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 107285294
N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 27104970
N-[(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81050088
[(Z)-1-aminoethylideneamino] 3-(8-bromo-3,6-dimethyl-4-oxochromen-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
CID 176864383
1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanone
CID 43155101
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155106
1-(3-bromo-2-iodo-5-methylphenyl)ethanone
CID 131429622
bis(3-bromo-2,5-dimethylphenyl)methanone
CID 139698433
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone (CID 43155099) is 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2c(Br)cc(C)cc2c1C.
What is the InChIKey of 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone?
The InChIKey is LAYIWKRRXUKIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-6-4-9-7(2)11(8(3)14)15-12(9)10(13)5-6/h4-5H,1-3H3.
What are the key properties of 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone?
1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone has a molecular weight of 267.12 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 43155099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).