1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone

C12H11BrO3 — CID 84715219

IUPAC1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
SMILESCOc1c(Br)ccc2oc(C)c(C(C)=O)c12
InChIInChI=1S/C12H11BrO3/c1-6(14)10-7(2)16-9-5-4-8(13)12(15-3)11(9)10/h4-5H,1-3H3
InChIKeyJRXSMJJFXVSNPA-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.71
Rot. Bonds2

About 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone

1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 84715219) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
PubChem CID84715219
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
SMILESCOc1c(Br)ccc2oc(C)c(C(C)=O)c12
InChIInChI=1S/C12H11BrO3/c1-6(14)10-7(2)16-9-5-4-8(13)12(15-3)11(9)10/h4-5H,1-3H3
InChIKeyJRXSMJJFXVSNPA-UHFFFAOYSA-N
XLogP3.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-4-bromo-3-methoxybenzonitrile
CID 171005577
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
5-bromo-4-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 170334490
3-acetyl-4-bromo-2-methoxybenzonitrile
CID 171005396
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
(3-acetyl-2-methyl-1-benzofuran-5-yl) 3-bromobenzoate
CID 1223275
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone (CID 84715219) is 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone is COc1c(Br)ccc2oc(C)c(C(C)=O)c12.
What is the InChIKey of 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is JRXSMJJFXVSNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-6(14)10-7(2)16-9-5-4-8(13)12(15-3)11(9)10/h4-5H,1-3H3.
What are the key properties of 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone?
1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 283.12 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 84715219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).