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

C12H11BrO2 — CID 107285294

IUPAC1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(C)ccc(Br)c2c1C
InChIInChI=1S/C12H11BrO2/c1-6-4-5-9(13)10-7(2)12(8(3)14)15-11(6)10/h4-5H,1-3H3
InChIKeyRVMPXBMXUAANIJ-UHFFFAOYSA-N
MW267.12 g/mol
LogP4.01
Rot. Bonds1

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

1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone (PubChem CID 107285294) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone
PubChem CID107285294
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(C)ccc(Br)c2c1C
InChIInChI=1S/C12H11BrO2/c1-6-4-5-9(13)10-7(2)12(8(3)14)15-11(6)10/h4-5H,1-3H3
InChIKeyRVMPXBMXUAANIJ-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-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 43155099
1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone
CID 121014942
N-ethyl-N,3,4,7-tetramethyl-1-benzofuran-2-carboxamide
CID 60578508
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
ethyl 7-bromo-4-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 141488527
4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
CID 84729253
ethyl 4-bromo-7-methyl-1-benzofuran-3-carboxylate
CID 107287190
(4-methylsulfonylpiperazin-1-yl)-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 47071501
N-[3-(dimethylamino)-3-oxopropyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 47071817
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 60578796

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone (CID 107285294) is 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2c(C)ccc(Br)c2c1C.
What is the InChIKey of 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone?
The InChIKey is RVMPXBMXUAANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-6-4-5-9(13)10-7(2)12(8(3)14)15-11(6)10/h4-5H,1-3H3.
What are the key properties of 1-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone?
1-(4-bromo-3,7-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-(4-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 107285294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).