1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone

C12H11BrO2 — CID 121014942

IUPAC1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone
SMILESCC(=O)c1ccc(Br)c2oc(C)c(C)c12
InChIInChI=1S/C12H11BrO2/c1-6-8(3)15-12-10(13)5-4-9(7(2)14)11(6)12/h4-5H,1-3H3
InChIKeySKOGNNMPRBSEDL-UHFFFAOYSA-N
MW267.12 g/mol
LogP4.01
Rot. Bonds1

About 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone

1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone (PubChem CID 121014942) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone
PubChem CID121014942
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone
SMILESCC(=O)c1ccc(Br)c2oc(C)c(C)c12
InChIInChI=1S/C12H11BrO2/c1-6-8(3)15-12-10(13)5-4-9(7(2)14)11(6)12/h4-5H,1-3H3
InChIKeySKOGNNMPRBSEDL-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

5-acetyl-8-bromo-3-methyl-2-phenylchromen-4-one
CID 174321566
1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 107285294
1-(5-bromo-2,3-dimethyl-1-benzofuran-6-yl)ethanone
CID 121014941
6-acetyl-3-bromo-2-methylbenzaldehyde
CID 171002269
N-(6-acetyl-3-bromo-2-methylphenyl)formamide
CID 167161838
1,4,6,9-tetrabromodibenzofuran
CID 526291
1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone
CID 142402741
1-[4-bromo-2-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171007551
1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
CID 84715219
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65152704
3-acetyl-6-bromo-2-chlorobenzaldehyde
CID 171000505

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone?
The IUPAC name of 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone (CID 121014942) is 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone?
The canonical SMILES for 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone is CC(=O)c1ccc(Br)c2oc(C)c(C)c12.
What is the InChIKey of 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone?
The InChIKey is SKOGNNMPRBSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-6-8(3)15-12-10(13)5-4-9(7(2)14)11(6)12/h4-5H,1-3H3.
What are the key properties of 1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone?
1-(7-bromo-2,3-dimethyl-1-benzofuran-4-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-2,3-dimethyl-1-benzofuran-4-yl)ethanone is sourced from PubChem (CID 121014942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).